N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide

C18H22N4O2 — CID 131941436

IUPACN-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)cc1NC(=O)Cn1cccn1
InChIInChI=1S/C18H22N4O2/c1-13-7-8-15(20-18(24)14-5-2-3-6-14)11-16(13)21-17(23)12-22-10-4-9-19-22/h4,7-11,14H,2-3,5-6,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyWCMANDVKAUWYAD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.96
Rot. Bonds5

About N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide

N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide (PubChem CID 131941436) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide
PubChem CID131941436
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)cc1NC(=O)Cn1cccn1
InChIInChI=1S/C18H22N4O2/c1-13-7-8-15(20-18(24)14-5-2-3-6-14)11-16(13)21-17(23)12-22-10-4-9-19-22/h4,7-11,14H,2-3,5-6,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyWCMANDVKAUWYAD-UHFFFAOYSA-N
XLogP2.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-[4-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 87001216
N-[3-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 55711571
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
CID 119949945
N-[4-methyl-3-[[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 1429718
N-[4-methyl-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]cyclopentanecarboxamide
CID 118776111
N-[4-methyl-3-[[2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55711576
N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
CID 55742072
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22776748
2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110689996

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide (CID 131941436) is N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide is Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)Cn1cccn1.
What is the InChIKey of N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide?
The InChIKey is WCMANDVKAUWYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-7-8-15(20-18(24)14-5-2-3-6-14)11-16(13)21-17(23)12-22-10-4-9-19-22/h4,7-11,14H,2-3,5-6,12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide?
N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(2-pyrazol-1-ylacetyl)amino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 131941436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).