3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide

C16H26N4O — CID 129330407

IUPAC3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccn([C@@H]2CCNC2)n1
InChIInChI=1S/C16H26N4O/c21-16(7-6-13-4-2-1-3-5-13)18-15-9-11-20(19-15)14-8-10-17-12-14/h9,11,13-14,17H,1-8,10,12H2,(H,18,19,21)/t14-/m1/s1
InChIKeyHWYMFJRWGRRWFO-CQSZACIVSA-N
MW290.41 g/mol
LogP2.72
Rot. Bonds5

About 3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide

3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide (PubChem CID 129330407) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
PubChem CID129330407
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccn([C@@H]2CCNC2)n1
InChIInChI=1S/C16H26N4O/c21-16(7-6-13-4-2-1-3-5-13)18-15-9-11-20(19-15)14-8-10-17-12-14/h9,11,13-14,17H,1-8,10,12H2,(H,18,19,21)/t14-/m1/s1
InChIKeyHWYMFJRWGRRWFO-CQSZACIVSA-N
XLogP2.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropoxy)-N-(1-pyrrolidin-3-ylpyrazol-3-yl)propanamide
CID 128991650
2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129341941
2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327739
1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 129336211
2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 128964902
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
CID 129337211
2-pyridin-3-yl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)propanamide
CID 128991658
3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride
CID 119494536
N-(1-cyclopropylpyrazol-3-yl)propanamide
CID 170387094
(4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide
CID 164635885
3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole
CID 95366500
2-cyclohexyl-N-(1-methylpyrazol-3-yl)acetamide
CID 51228914

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide (CID 129330407) is 3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide is O=C(CCC1CCCCC1)Nc1ccn([C@@H]2CCNC2)n1.
What is the InChIKey of 3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide?
The InChIKey is HWYMFJRWGRRWFO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O/c21-16(7-6-13-4-2-1-3-5-13)18-15-9-11-20(19-15)14-8-10-17-12-14/h9,11,13-14,17H,1-8,10,12H2,(H,18,19,21)/t14-/m1/s1.
What are the key properties of 3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide?
3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 129330407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).