1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide

C22H32N6O2 — CID 166234540

IUPAC1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
SMILESCCCc1cc(NC(=O)C23CCC(C(=O)Nc4cc(CCC)[nH]n4)(CC2)CC3)n[nH]1
InChIInChI=1S/C22H32N6O2/c1-3-5-15-13-17(27-25-15)23-19(29)21-7-10-22(11-8-21,12-9-21)20(30)24-18-14-16(6-4-2)26-28-18/h13-14H,3-12H2,1-2H3,(H2,23,25,27,29)(H2,24,26,28,30)
InChIKeyPLNLOWLCVGNHAF-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.96
Rot. Bonds8

About 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide

1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide (PubChem CID 166234540) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
PubChem CID166234540
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
SMILESCCCc1cc(NC(=O)C23CCC(C(=O)Nc4cc(CCC)[nH]n4)(CC2)CC3)n[nH]1
InChIInChI=1S/C22H32N6O2/c1-3-5-15-13-17(27-25-15)23-19(29)21-7-10-22(11-8-21,12-9-21)20(30)24-18-14-16(6-4-2)26-28-18/h13-14H,3-12H2,1-2H3,(H2,23,25,27,29)(H2,24,26,28,30)
InChIKeyPLNLOWLCVGNHAF-UHFFFAOYSA-N
XLogP3.96
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide with MolForge

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Related Compounds

3-ethyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-3-carboxamide
CID 113433541
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
2-amino-1-methyl-N-(5-propyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
CID 104618255
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
2-(1-hydroxycyclohexyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 111538367
2-(1-aminocyclopentyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433565
1-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 104617311
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide (CID 166234540) is 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide is CCCc1cc(NC(=O)C23CCC(C(=O)Nc4cc(CCC)[nH]n4)(CC2)CC3)n[nH]1.
What is the InChIKey of 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide?
The InChIKey is PLNLOWLCVGNHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-3-5-15-13-17(27-25-15)23-19(29)21-7-10-22(11-8-21,12-9-21)20(30)24-18-14-16(6-4-2)26-28-18/h13-14H,3-12H2,1-2H3,(H2,23,25,27,29)(H2,24,26,28,30).
What are the key properties of 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide?
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide has a molecular weight of 412.54 g/mol, XLogP of 3.96, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide is sourced from PubChem (CID 166234540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).