2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile

C16H22N4O — CID 146107759

IUPAC2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
SMILESCc1c(C(=O)N2CC(CC#N)C2)cnn1C1CCCCC1
InChIInChI=1S/C16H22N4O/c1-12-15(16(21)19-10-13(11-19)7-8-17)9-18-20(12)14-5-3-2-4-6-14/h9,13-14H,2-7,10-11H2,1H3
InChIKeyIXFJOSBLPJHIFJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds3

About 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile

2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile (PubChem CID 146107759) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
PubChem CID146107759
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile
SMILESCc1c(C(=O)N2CC(CC#N)C2)cnn1C1CCCCC1
InChIInChI=1S/C16H22N4O/c1-12-15(16(21)19-10-13(11-19)7-8-17)9-18-20(12)14-5-3-2-4-6-14/h9,13-14H,2-7,10-11H2,1H3
InChIKeyIXFJOSBLPJHIFJ-UHFFFAOYSA-N
XLogP2.68
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-cyclopentyl-5-methylpyrazol-4-yl)-[3-[2-(dimethylamino)ethyl]pyrrolidin-1-yl]methanone
CID 167946154
N-[[1-(1-cyclopentyl-5-methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
CID 126776876
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
(1-cyclohexyl-5-methylpyrazol-4-yl)-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 128988276
[4-(1-cyclohexylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
CID 166343622
(1-cyclohexyl-5-methylpyrazol-4-yl)-(5-methoxy-1,3-dihydroisoindol-2-yl)methanone
CID 166241214
1-cyclopentyl-N-(1-cyclopentylethyl)-5-methylpyrazole-4-carboxamide
CID 126786160
[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-(1-cyclopentyl-5-methylpyrazol-4-yl)methanone
CID 126771221
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
(1-cyclopentyl-5-methylpyrazol-4-yl)-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126784537
1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide
CID 166199642
(3S)-1-[1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 95577778

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile (CID 146107759) is 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile is Cc1c(C(=O)N2CC(CC#N)C2)cnn1C1CCCCC1.
What is the InChIKey of 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile?
The InChIKey is IXFJOSBLPJHIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-15(16(21)19-10-13(11-19)7-8-17)9-18-20(12)14-5-3-2-4-6-14/h9,13-14H,2-7,10-11H2,1H3.
What are the key properties of 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile?
2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile has a molecular weight of 286.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclohexyl-5-methylpyrazole-4-carbonyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 146107759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).