5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile

C12H10N4O2 — CID 2405928

IUPAC5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
SMILESCOc1ccc(C(=O)n2ncc(C#N)c2N)cc1
InChIInChI=1S/C12H10N4O2/c1-18-10-4-2-8(3-5-10)12(17)16-11(14)9(6-13)7-15-16/h2-5,7H,14H2,1H3
InChIKeyWUANWHWUHPZKMS-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.03
Rot. Bonds2

About 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile

5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile (PubChem CID 2405928) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
PubChem CID2405928
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
SMILESCOc1ccc(C(=O)n2ncc(C#N)c2N)cc1
InChIInChI=1S/C12H10N4O2/c1-18-10-4-2-8(3-5-10)12(17)16-11(14)9(6-13)7-15-16/h2-5,7H,14H2,1H3
InChIKeyWUANWHWUHPZKMS-UHFFFAOYSA-N
XLogP1.03
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-5-amino-1-(1-(cyclopentylimino)-2-(2-fluoro-4-methoxyphenyl)-2-oxo ethyl)-1H-pyrazole-4-carbonitrile
CID 73336082
5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile
CID 945667
N-[1-(1-cyclobutyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 24816610
4-methoxy-N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817414
N-{1-[1-(3-fluoro-4-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 24790743
N-(4-cyano-1-methylpyrazol-5-yl)-3-phenoxybenzamide
CID 17511162
N-[2-[1-(1-cyclohex-3-enylmethyl)-4-piperidinyl]-3-pyrazolyl]-4-methoxybenzamide
CID 24793795
N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 24793885
4-methoxy-N-[2-(1-pent-4-enoyl-4-piperidyl)pyrazol-3-yl]benzamide
CID 24816612
4-methoxy-N-{1-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24816663
4-methoxy-N-(1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817124
N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide
CID 8819893

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile (CID 2405928) is 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile is COc1ccc(C(=O)n2ncc(C#N)c2N)cc1.
What is the InChIKey of 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile?
The InChIKey is WUANWHWUHPZKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-10-4-2-8(3-5-10)12(17)16-11(14)9(6-13)7-15-16/h2-5,7H,14H2,1H3.
What are the key properties of 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile?
5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile has a molecular weight of 242.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 2405928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).