1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole

C15H25N3 — CID 126947287

IUPAC1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole
SMILESCc1cnn(C2CCN(CC3CCCCC3)C2)c1
InChIInChI=1S/C15H25N3/c1-13-9-16-18(10-13)15-7-8-17(12-15)11-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3
InChIKeyAFWHGTHAHWRCDW-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.02
Rot. Bonds3

About 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole

1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole (PubChem CID 126947287) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole
PubChem CID126947287
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole
SMILESCc1cnn(C2CCN(CC3CCCCC3)C2)c1
InChIInChI=1S/C15H25N3/c1-13-9-16-18(10-13)15-7-8-17(12-15)11-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3
InChIKeyAFWHGTHAHWRCDW-UHFFFAOYSA-N
XLogP3.02
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole 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-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepane
CID 126947336
4-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]morpholine
CID 126947279
4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
CID 126947449
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole
CID 126947275
3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126947354
2-methyl-1-[4-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
CID 155740508
1-cyclobutyl-4-methylpyrazole
CID 59225391
5-cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 126947443
5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine
CID 155741023
(3aS,5S,6S,7aR)-2-(cyclopentylmethyl)-5-methoxy-6-(4-methylpyrazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 154812962
4-methyl-1-[1-[(Z)-4-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]but-2-enyl]azetidin-3-yl]pyrazole
CID 98507020

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole?
The IUPAC name of 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole (CID 126947287) is 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole?
The canonical SMILES for 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole is Cc1cnn(C2CCN(CC3CCCCC3)C2)c1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole?
The InChIKey is AFWHGTHAHWRCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-9-16-18(10-13)15-7-8-17(12-15)11-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole?
1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole has a molecular weight of 247.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole is sourced from PubChem (CID 126947287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).