(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide

C16H26N4O2 — CID 164629745

IUPAC(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CC[C@H](C(=O)Nc2ccnn2C2CCCC2)C1
InChIInChI=1S/C16H26N4O2/c1-22-11-10-19-9-7-13(12-19)16(21)18-15-6-8-17-20(15)14-4-2-3-5-14/h6,8,13-14H,2-5,7,9-12H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyJBOJOQDRBZWBPZ-ZDUSSCGKSA-N
MW306.41 g/mol
LogP1.90
Rot. Bonds6

About (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide

(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide (PubChem CID 164629745) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
PubChem CID164629745
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CC[C@H](C(=O)Nc2ccnn2C2CCCC2)C1
InChIInChI=1S/C16H26N4O2/c1-22-11-10-19-9-7-13(12-19)16(21)18-15-6-8-17-20(15)14-4-2-3-5-14/h6,8,13-14H,2-5,7,9-12H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyJBOJOQDRBZWBPZ-ZDUSSCGKSA-N
XLogP1.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 45250863
N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24816873
ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8772836
N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24818917
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56701108
(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42383376
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 134700952
N-(2-cyclohexylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048496
N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24819134
N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide (CID 164629745) is (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide is COCCN1CC[C@H](C(=O)Nc2ccnn2C2CCCC2)C1.
What is the InChIKey of (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
The InChIKey is JBOJOQDRBZWBPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-22-11-10-19-9-7-13(12-19)16(21)18-15-6-8-17-20(15)14-4-2-3-5-14/h6,8,13-14H,2-5,7,9-12H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide?
(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 164629745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).