N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane

C24H33N3 — CID 143052978

IUPACN-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane
SMILESC=C(Cc1cccc2c1C=CCC=C2)Nc1cc(C(C)(C)C)nn1C.CC
InChIInChI=1S/C22H27N3.C2H6/c1-16(23-21-15-20(22(2,3)4)24-25(21)5)14-18-12-9-11-17-10-7-6-8-13-19(17)18;1-2/h7-13,15,23H,1,6,14H2,2-5H3;1-2H3
InChIKeyGPJABGIGDUCPFJ-UHFFFAOYSA-N
MW363.55 g/mol
LogP6.34
Rot. Bonds4

About N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane

N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane (PubChem CID 143052978) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane.

Molecular Properties

Compound NameN-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane
PubChem CID143052978
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC NameN-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane
SMILESC=C(Cc1cccc2c1C=CCC=C2)Nc1cc(C(C)(C)C)nn1C.CC
InChIInChI=1S/C22H27N3.C2H6/c1-16(23-21-15-20(22(2,3)4)24-25(21)5)14-18-12-9-11-17-10-7-6-8-13-19(17)18;1-2/h7-13,15,23H,1,6,14H2,2-5H3;1-2H3
InChIKeyGPJABGIGDUCPFJ-UHFFFAOYSA-N
XLogP6.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide
CID 60594734
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CID 6489269
N-(3-tert-butyl-1-methylpyrazol-5-yl)naphthalene-1-sulfonamide
CID 5220322
N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide
CID 166406116
3-tert-butyl-N-[3-(4-chloro-2-fluorophenyl)sulfanyl-3-methylbut-1-en-2-yl]-1-methylpyrazol-5-amine
CID 70665996
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094422
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
CID 2811926
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47057295
N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
CID 39965447
N-(3-tert-butyl-1-methylpyrazol-5-yl)-3,5-dichlorobenzenesulfonamide
CID 25047609
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 46984542
N-(3-tert-butyl-1-methylpyrazol-5-yl)isoquinoline-5-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane?
The IUPAC name of N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane (CID 143052978) is N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane.
What is the SMILES notation for N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane?
The canonical SMILES for N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane is C=C(Cc1cccc2c1C=CCC=C2)Nc1cc(C(C)(C)C)nn1C.CC.
What is the InChIKey of N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane?
The InChIKey is GPJABGIGDUCPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3.C2H6/c1-16(23-21-15-20(22(2,3)4)24-25(21)5)14-18-12-9-11-17-10-7-6-8-13-19(17)18;1-2/h7-13,15,23H,1,6,14H2,2-5H3;1-2H3.
What are the key properties of N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane?
N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane has a molecular weight of 363.55 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7H-benzo[7]annulen-4-yl)prop-1-en-2-yl]-3-tert-butyl-1-methylpyrazol-5-amine;ethane is sourced from PubChem (CID 143052978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).