5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide

C18H22N4O2 — CID 37292469

IUPAC5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C18H22N4O2/c1-11(2)17(23)20-14-7-3-12(4-8-14)10-19-18(24)16-9-15(21-22-16)13-5-6-13/h3-4,7-9,11,13H,5-6,10H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyDAFMKCDIYHOFHM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.81
Rot. Bonds6

About 5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 37292469) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID37292469
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C18H22N4O2/c1-11(2)17(23)20-14-7-3-12(4-8-14)10-19-18(24)16-9-15(21-22-16)13-5-6-13/h3-4,7-9,11,13H,5-6,10H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyDAFMKCDIYHOFHM-UHFFFAOYSA-N
XLogP2.81
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541340
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 46642727
5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51333269
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119495448
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 51108323
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 37043755

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 37292469) is 5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide is CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is DAFMKCDIYHOFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11(2)17(23)20-14-7-3-12(4-8-14)10-19-18(24)16-9-15(21-22-16)13-5-6-13/h3-4,7-9,11,13H,5-6,10H2,1-2H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of 5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 37292469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).