[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C26H33N5O4 — CID 167143151

IUPAC[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC(C(=O)Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)[nH]n1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C26H33N5O4/c1-16(17-5-8-19(9-6-17)31-13-3-4-23(31)32)24(33)27-22-15-21(29-30-22)18-7-10-20(14-18)35-25(34)28-26(2)11-12-26/h5-6,8-9,15-16,18,20H,3-4,7,10-14H2,1-2H3,(H,28,34)(H2,27,29,30,33)
InChIKeyVSQPIFITGQGMGJ-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.19
Rot. Bonds7

About [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 167143151) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID167143151
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCC(C(=O)Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)[nH]n1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C26H33N5O4/c1-16(17-5-8-19(9-6-17)31-13-3-4-23(31)32)24(33)27-22-15-21(29-30-22)18-7-10-20(14-18)35-25(34)28-26(2)11-12-26/h5-6,8-9,15-16,18,20H,3-4,7,10-14H2,1-2H3,(H,28,34)(H2,27,29,30,33)
InChIKeyVSQPIFITGQGMGJ-UHFFFAOYSA-N
XLogP4.19
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143056
[(1S,3S)-3-[3-[2-[2-(1,3,4-oxadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143042
[(1S,3S)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143753
[(1R,3R)-3-[3-[[2-[2-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143762
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
[(1S)-3-[3-[[2-[2-cyano-4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143038
(2R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330964
[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 170073903
[(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 154616677
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[(1R,3S)-3-[3-[[2-(6-methyl-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616882
[3-[3-[[2-(2-cyclopropyl-1,3-oxazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 155025446

Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 167143151) is [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC(C(=O)Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)[nH]n1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is VSQPIFITGQGMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-16(17-5-8-19(9-6-17)31-13-3-4-23(31)32)24(33)27-22-15-21(29-30-22)18-7-10-20(14-18)35-25(34)28-26(2)11-12-26/h5-6,8-9,15-16,18,20H,3-4,7,10-14H2,1-2H3,(H,28,34)(H2,27,29,30,33).
What are the key properties of [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 479.58 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 167143151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).