1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide

C16H24N4O2 — CID 154774733

IUPAC1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C16H24N4O2/c21-15(17-11-13-8-9-18-19-13)14-7-4-10-20(14)16(22)12-5-2-1-3-6-12/h8-9,12,14H,1-7,10-11H2,(H,17,21)(H,18,19)
InChIKeyWBCNCWMHFOOIOD-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.60
Rot. Bonds4

About 1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 154774733) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID154774733
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C16H24N4O2/c21-15(17-11-13-8-9-18-19-13)14-7-4-10-20(14)16(22)12-5-2-1-3-6-12/h8-9,12,14H,1-7,10-11H2,(H,17,21)(H,18,19)
InChIKeyWBCNCWMHFOOIOD-UHFFFAOYSA-N
XLogP1.60
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 94809182
tert-butyl 2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51095422
1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 54885097
1-(cyclohexanecarbonyl)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 46990845
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 60976301
1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 47072465
(2R)-1-(cyclohexanecarbonyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94167854
N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 60977507
(2R)-1-(cyclohexanecarbonyl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 94604782
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595
(2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide
CID 154799506
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-dicarboxamide
CID 164642855

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 154774733) is 1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ccn[nH]1)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is WBCNCWMHFOOIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(17-11-13-8-9-18-19-13)14-7-4-10-20(14)16(22)12-5-2-1-3-6-12/h8-9,12,14H,1-7,10-11H2,(H,17,21)(H,18,19).
What are the key properties of 1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154774733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).