1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide

C19H15BrN4O — CID 158783987

IUPAC1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide
SMILESO=C(NC1=CCc2ncc(Br)cc21)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H15BrN4O/c20-15-8-16-17(21-10-15)6-7-18(16)23-19(25)14-9-22-24(12-14)11-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,23,25)
InChIKeyOYXXTPMHSSZJIA-UHFFFAOYSA-N
MW395.26 g/mol
LogP3.42
Rot. Bonds4

About 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide

1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide (PubChem CID 158783987) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide
PubChem CID158783987
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide
SMILESO=C(NC1=CCc2ncc(Br)cc21)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H15BrN4O/c20-15-8-16-17(21-10-15)6-7-18(16)23-19(25)14-9-22-24(12-14)11-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,23,25)
InChIKeyOYXXTPMHSSZJIA-UHFFFAOYSA-N
XLogP3.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 29370263
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1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
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1-benzyl-N-(3-ethynylphenyl)pyrazole-4-carboxamide
CID 46540728
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
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1-benzyl-N-cyclohexylpyrazole-4-carboxamide
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1-benzyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazole-4-carboxamide
CID 46451156
1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678969
N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
CID 87045497
methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
CID 156583770
1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544737
1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide
CID 26121643

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide (CID 158783987) is 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide is O=C(NC1=CCc2ncc(Br)cc21)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide?
The InChIKey is OYXXTPMHSSZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c20-15-8-16-17(21-10-15)6-7-18(16)23-19(25)14-9-22-24(12-14)11-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,23,25).
What are the key properties of 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide?
1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide has a molecular weight of 395.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 158783987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).