4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine

C75H88N20 — CID 163663675

IUPAC4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine
SMILESC=CC1NN=CC1c1cnc(-c2cn[nH]c2C)cc1CCCCCC.C=Cc1[nH]ncc1-c1cnc(-c2cn[nH]c2C)cc1C(C)(C)C.Cc1[nH]ncc1-c1cc(C2CCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1C1C=C(C2CCCC2)C2=C(C=CC3NN=CC23)N1
InChIInChI=1S/C20H27N5.C19H23N5.C18H17N5.C18H21N5/c1-4-6-7-8-9-15-10-20(16-12-22-24-14(16)3)21-11-17(15)18-13-23-25-19(18)5-2;1-11-14(9-20-23-11)18-8-13(12-4-2-3-5-12)19-15-10-21-24-16(15)6-7-17(19)22-18;1-10-13(8-19-22-10)17-7-12(11-3-2-4-11)18-14-9-20-23-15(14)5-6-16(18)21-17;1-6-16-14(10-21-23-16)13-8-19-17(7-15(13)18(3,4)5)12-9-20-22-11(12)2/h5,10-13,18-19,25H,2,4,6-9H2,1,3H3,(H,22,24);6-10,12,15-16,18,22,24H,2-5H2,1H3,(H,20,23);5-9,11H,2-4H2,1H3,(H,19,22)(H,20,23);6-10H,1H2,2-5H3,(H,20,22)(H,21,23)
InChIKeyIWNLECXXRVJVMA-UHFFFAOYSA-N
MW1269.67 g/mol
LogP15.19
Rot. Bonds15

About 4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine

4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine (PubChem CID 163663675) has the molecular formula C75H88N20 and a molecular weight of 1269.67 g/mol. Its IUPAC name is 4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine
PubChem CID163663675
Molecular FormulaC75H88N20
Molecular Weight1269.67 g/mol
Exact Mass1268.75
IUPAC Name4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine
SMILESC=CC1NN=CC1c1cnc(-c2cn[nH]c2C)cc1CCCCCC.C=Cc1[nH]ncc1-c1cnc(-c2cn[nH]c2C)cc1C(C)(C)C.Cc1[nH]ncc1-c1cc(C2CCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1C1C=C(C2CCCC2)C2=C(C=CC3NN=CC23)N1
InChIInChI=1S/C20H27N5.C19H23N5.C18H17N5.C18H21N5/c1-4-6-7-8-9-15-10-20(16-12-22-24-14(16)3)21-11-17(15)18-13-23-25-19(18)5-2;1-11-14(9-20-23-11)18-8-13(12-4-2-3-5-12)19-15-10-21-24-16(15)6-7-17(19)22-18;1-10-13(8-19-22-10)17-7-12(11-3-2-4-11)18-14-9-20-23-15(14)5-6-16(18)21-17;1-6-16-14(10-21-23-16)13-8-19-17(7-15(13)18(3,4)5)12-9-20-22-11(12)2/h5,10-13,18-19,25H,2,4,6-9H2,1,3H3,(H,22,24);6-10,12,15-16,18,22,24H,2-5H2,1H3,(H,20,23);5-9,11H,2-4H2,1H3,(H,19,22)(H,20,23);6-10H,1H2,2-5H3,(H,20,22)(H,21,23)
InChIKeyIWNLECXXRVJVMA-UHFFFAOYSA-N
XLogP15.19
TPSA271.56 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001269.67
LogP ≤ 515.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine (CID 163663675) is 4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine is C=CC1NN=CC1c1cnc(-c2cn[nH]c2C)cc1CCCCCC.C=Cc1[nH]ncc1-c1cnc(-c2cn[nH]c2C)cc1C(C)(C)C.Cc1[nH]ncc1-c1cc(C2CCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1C1C=C(C2CCCC2)C2=C(C=CC3NN=CC23)N1.
What is the InChIKey of 4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine?
The InChIKey is IWNLECXXRVJVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5.C19H23N5.C18H17N5.C18H21N5/c1-4-6-7-8-9-15-10-20(16-12-22-24-14(16)3)21-11-17(15)18-13-23-25-19(18)5-2;1-11-14(9-20-23-11)18-8-13(12-4-2-3-5-12)19-15-10-21-24-16(15)6-7-17(19)22-18;1-10-13(8-19-22-10)17-7-12(11-3-2-4-11)18-14-9-20-23-15(14)5-6-16(18)21-17;1-6-16-14(10-21-23-16)13-8-19-17(7-15(13)18(3,4)5)12-9-20-22-11(12)2/h5,10-13,18-19,25H,2,4,6-9H2,1,3H3,(H,22,24);6-10,12,15-16,18,22,24H,2-5H2,1H3,(H,20,23);5-9,11H,2-4H2,1H3,(H,19,22)(H,20,23);6-10H,1H2,2-5H3,(H,20,22)(H,21,23).
What are the key properties of 4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine?
4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine has a molecular weight of 1269.67 g/mol, XLogP of 15.19, 15 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(5-ethenyl-1H-pyrazol-4-yl)-2-(5-methyl-1H-pyrazol-4-yl)pyridine;9-cyclobutyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;9-cyclopentyl-7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinoline;5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-hexyl-2-(5-methyl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 163663675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).