(1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone

C14H21N3O — CID 71931829

IUPAC(1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn(C2CCCCC2)c1)N1CCCC1
InChIInChI=1S/C14H21N3O/c18-14(16-8-4-5-9-16)12-10-15-17(11-12)13-6-2-1-3-7-13/h10-11,13H,1-9H2
InChIKeyKWCWNDLQYGWGMB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.62
Rot. Bonds2

About (1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone

(1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 71931829) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID71931829
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn(C2CCCCC2)c1)N1CCCC1
InChIInChI=1S/C14H21N3O/c18-14(16-8-4-5-9-16)12-10-15-17(11-12)13-6-2-1-3-7-13/h10-11,13H,1-9H2
InChIKeyKWCWNDLQYGWGMB-UHFFFAOYSA-N
XLogP2.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-1H-pyrazole-4-carbaldehyde
CID 3145403
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
[(1R)-1-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 177377105
2-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72839161
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802
5-(1-Ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201427
1-Cyclopentyl-1h-pyrazole-4-carboxamide
CID 69715894
1-Pentyl-1h-pyrazole-4-carboxamide
CID 124140305
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 25367596
N-[(1S)-1-cyclopropylethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 40143640
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47220435

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone (CID 71931829) is (1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone is O=C(c1cnn(C2CCCCC2)c1)N1CCCC1.
What is the InChIKey of (1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is KWCWNDLQYGWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(16-8-4-5-9-16)12-10-15-17(11-12)13-6-2-1-3-7-13/h10-11,13H,1-9H2.
What are the key properties of (1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
(1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71931829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).