N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide

C17H26N4O2 — CID 42211584

IUPACN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)N[C@H]1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C17H26N4O2/c22-16(7-10-21-9-4-8-18-21)19-15-11-17(23)20(13-15)12-14-5-2-1-3-6-14/h4,8-9,14-15H,1-3,5-7,10-13H2,(H,19,22)/t15-/m0/s1
InChIKeyWTQSUWZHCWNGJZ-HNNXBMFYSA-N
MW318.42 g/mol
LogP1.57
Rot. Bonds6

About N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide

N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 42211584) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
PubChem CID42211584
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)N[C@H]1CC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C17H26N4O2/c22-16(7-10-21-9-4-8-18-21)19-15-11-17(23)20(13-15)12-14-5-2-1-3-6-14/h4,8-9,14-15H,1-3,5-7,10-13H2,(H,19,22)/t15-/m0/s1
InChIKeyWTQSUWZHCWNGJZ-HNNXBMFYSA-N
XLogP1.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide (CID 42211584) is N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)N[C@H]1CC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is WTQSUWZHCWNGJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16(7-10-21-9-4-8-18-21)19-15-11-17(23)20(13-15)12-14-5-2-1-3-6-14/h4,8-9,14-15H,1-3,5-7,10-13H2,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 42211584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).