3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide

C18H27N5O2 — CID 129347326

IUPAC3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCN1CC[C@H](N2CCC(NC(=O)c3cn(C)nc3C3CC3)CC2)C1=O
InChIInChI=1S/C18H27N5O2/c1-21-8-7-15(18(21)25)23-9-5-13(6-10-23)19-17(24)14-11-22(2)20-16(14)12-3-4-12/h11-13,15H,3-10H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyGJPWWASBMXLVFG-HNNXBMFYSA-N
MW345.45 g/mol
LogP0.72
Rot. Bonds4

About 3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide

3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 129347326) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID129347326
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCN1CC[C@H](N2CCC(NC(=O)c3cn(C)nc3C3CC3)CC2)C1=O
InChIInChI=1S/C18H27N5O2/c1-21-8-7-15(18(21)25)23-9-5-13(6-10-23)19-17(24)14-11-22(2)20-16(14)12-3-4-12/h11-13,15H,3-10H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyGJPWWASBMXLVFG-HNNXBMFYSA-N
XLogP0.72
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2-methylsulfanylbenzamide
CID 122158233
4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide
CID 138997449
1-methyl-3-(oxolan-3-yl)-N-(1-propylpiperidin-4-yl)pyrazole-4-carboxamide
CID 128995752
3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide
CID 128903269
1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
CID 83873172
N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 129347414
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
1-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 166208494
N-[1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 99807466
7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350736
1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
CID 91925816
3-cyclopentyl-N-[(1S,2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-1-methylpyrazole-4-carboxamide
CID 136588660

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide (CID 129347326) is 3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide is CN1CC[C@H](N2CCC(NC(=O)c3cn(C)nc3C3CC3)CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is GJPWWASBMXLVFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-21-8-7-15(18(21)25)23-9-5-13(6-10-23)19-17(24)14-11-22(2)20-16(14)12-3-4-12/h11-13,15H,3-10H2,1-2H3,(H,19,24)/t15-/m0/s1.
What are the key properties of 3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide?
3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 129347326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).