(5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone

C22H29N3O2 — CID 72901048

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C22H29N3O2/c26-15-17-8-6-16(7-9-17)12-18-10-11-25(14-18)22(27)20-13-23-24-21(20)19-4-2-1-3-5-19/h6-9,13,18-19,26H,1-5,10-12,14-15H2,(H,23,24)
InChIKeyIRXVUZYZCBRHNR-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.65
Rot. Bonds5

About (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 72901048) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
PubChem CID72901048
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC(Cc2ccc(CO)cc2)C1
InChIInChI=1S/C22H29N3O2/c26-15-17-8-6-16(7-9-17)12-18-10-11-25(14-18)22(27)20-13-23-24-21(20)19-4-2-1-3-5-19/h6-9,13,18-19,26H,1-5,10-12,14-15H2,(H,23,24)
InChIKeyIRXVUZYZCBRHNR-UHFFFAOYSA-N
XLogP3.65
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone 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

[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 72845401
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116
(5-cyclohexyl-1H-pyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 70732469
[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 72872300
(5-ethyl-1H-pyrrol-2-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 72911945
(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72853115
3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 72844387
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70759901
methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
CID 70755411
ethyl 4-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45170473
2-(azepan-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97132995
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
CID 72845696

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone (CID 72901048) is (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCC(Cc2ccc(CO)cc2)C1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is IRXVUZYZCBRHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-15-17-8-6-16(7-9-17)12-18-10-11-25(14-18)22(27)20-13-23-24-21(20)19-4-2-1-3-5-19/h6-9,13,18-19,26H,1-5,10-12,14-15H2,(H,23,24).
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72901048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).