N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide

C21H21N5O2 — CID 38784665

IUPACN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C21H21N5O2/c1-28-19-12-6-5-10-16(19)21(27)24-13-7-11-18-17(14-22)20(23)26(25-18)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13,23H2,1H3,(H,24,27)
InChIKeyBZNXCRYLQWKVCC-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.70
Rot. Bonds7

About N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide

N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide (PubChem CID 38784665) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide
PubChem CID38784665
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C21H21N5O2/c1-28-19-12-6-5-10-16(19)21(27)24-13-7-11-18-17(14-22)20(23)26(25-18)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13,23H2,1H3,(H,24,27)
InChIKeyBZNXCRYLQWKVCC-UHFFFAOYSA-N
XLogP2.70
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55578067
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-chloro-2-methoxybenzamide
CID 39022902
(E)-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 38772311
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46411593
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 46438991
3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide
CID 55578965
N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 166378912
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38225866
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-phenylmethoxypropanamide
CID 55651365
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55677783
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 38307287
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 38784588

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide?
The IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide (CID 38784665) is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide?
The InChIKey is BZNXCRYLQWKVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-28-19-12-6-5-10-16(19)21(27)24-13-7-11-18-17(14-22)20(23)26(25-18)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13,23H2,1H3,(H,24,27).
What are the key properties of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide?
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide has a molecular weight of 375.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide is sourced from PubChem (CID 38784665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).