N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide

C15H15N5O2 — CID 68991326

IUPACN-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2cn[nH]c2C(=O)NCCC#N)cc1
InChIInChI=1S/C15H15N5O2/c1-10-3-5-11(6-4-10)14(21)19-12-9-18-20-13(12)15(22)17-8-2-7-16/h3-6,9H,2,8H2,1H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyKCWAKGNABQBVSY-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.61
Rot. Bonds5

About N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide

N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 68991326) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID68991326
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2cn[nH]c2C(=O)NCCC#N)cc1
InChIInChI=1S/C15H15N5O2/c1-10-3-5-11(6-4-10)14(21)19-12-9-18-20-13(12)15(22)17-8-2-7-16/h3-6,9H,2,8H2,1H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyKCWAKGNABQBVSY-UHFFFAOYSA-N
XLogP1.61
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide
CID 68990628
N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide
CID 68989743
4-[(5-bromofuran-2-carbonyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide
CID 68987669
N-[2-(2-cyanoethylamino)ethyl]-4-methylbenzamide
CID 54880736
N-[5-(cyanomethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 86631239
[4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate
CID 174510787
N-[2-(cyanoamino)ethyl]-4-methylbenzamide
CID 62481255
N-[2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-4-methylbenzamide
CID 114385948
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 162656980
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 162647906
4-[(4-chlorobenzoyl)amino]-N-[6-(methylamino)hexan-3-yl]-1H-pyrazole-5-carboxamide
CID 143263527
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 68991326) is N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide is Cc1ccc(C(=O)Nc2cn[nH]c2C(=O)NCCC#N)cc1.
What is the InChIKey of N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is KCWAKGNABQBVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10-3-5-11(6-4-10)14(21)19-12-9-18-20-13(12)15(22)17-8-2-7-16/h3-6,9H,2,8H2,1H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 68991326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).