(5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

C19H27N5O2 — CID 135093256

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C[C@@H]2CN(C(=O)c3cn[nH]c3C3CCCCC3)C[C@@H]2O)n[nH]1
InChIInChI=1S/C19H27N5O2/c1-12-7-15(22-21-12)8-14-10-24(11-17(14)25)19(26)16-9-20-23-18(16)13-5-3-2-4-6-13/h7,9,13-14,17,25H,2-6,8,10-11H2,1H3,(H,20,23)(H,21,22)/t14-,17+/m1/s1
InChIKeyMGPZYXRNWWAPCX-PBHICJAKSA-N
MW357.46 g/mol
LogP2.16
Rot. Bonds4

About (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 135093256) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID135093256
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C[C@@H]2CN(C(=O)c3cn[nH]c3C3CCCCC3)C[C@@H]2O)n[nH]1
InChIInChI=1S/C19H27N5O2/c1-12-7-15(22-21-12)8-14-10-24(11-17(14)25)19(26)16-9-20-23-18(16)13-5-3-2-4-6-13/h7,9,13-14,17,25H,2-6,8,10-11H2,1H3,(H,20,23)(H,21,22)/t14-,17+/m1/s1
InChIKeyMGPZYXRNWWAPCX-PBHICJAKSA-N
XLogP2.16
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)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

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 135101939
(2-chloro-5-fluorophenyl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 134710143
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
CID 72845696
(5,6-dimethyl-3-pyridinyl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135096835
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 135120841
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-hydroxy-2-pyridinyl)methanone
CID 135103031
[2-(4-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 134710279
ethyl 4-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45170473
[4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135112421
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(2-methoxy-6-methylphenyl)methanone
CID 135115981
[2-chloro-5-(trifluoromethyl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 134698199
methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
CID 70755411

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 135093256) is (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C[C@@H]2CN(C(=O)c3cn[nH]c3C3CCCCC3)C[C@@H]2O)n[nH]1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is MGPZYXRNWWAPCX-PBHICJAKSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12-7-15(22-21-12)8-14-10-24(11-17(14)25)19(26)16-9-20-23-18(16)13-5-3-2-4-6-13/h7,9,13-14,17,25H,2-6,8,10-11H2,1H3,(H,20,23)(H,21,22)/t14-,17+/m1/s1.
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 135093256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).