[(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol

C24H28ClN5O — CID 10388404

IUPAC[(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1C1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/C24H28ClN5O/c25-18-7-3-16(4-8-18)23-22(21-11-12-26-15-27-21)24(29-28-23)17-5-9-19(10-6-17)30-13-1-2-20(30)14-31/h3-4,7-8,11-12,15,17,19-20,31H,1-2,5-6,9-10,13-14H2,(H,28,29)/t17?,19?,20-/m1/s1
InChIKeyQCVSEEWSVCHGHR-LYBXBRPPSA-N
MW437.98 g/mol
LogP4.67
Rot. Bonds5

About [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol

[(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol (PubChem CID 10388404) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol
PubChem CID10388404
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name[(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1C1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/C24H28ClN5O/c25-18-7-3-16(4-8-18)23-22(21-11-12-26-15-27-21)24(29-28-23)17-5-9-19(10-6-17)30-13-1-2-20(30)14-31/h3-4,7-8,11-12,15,17,19-20,31H,1-2,5-6,9-10,13-14H2,(H,28,29)/t17?,19?,20-/m1/s1
InChIKeyQCVSEEWSVCHGHR-LYBXBRPPSA-N
XLogP4.67
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol 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-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;hydrochloride
CID 22037518
[2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl] dihydrogen phosphate
CID 10322807
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 46884779
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 10024629
1-[4-[3-(3,4-dichlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 10071437
4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyrimidine
CID 22973174
1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 91065681
bis(4-[5-(1-butan-2-ylpiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine);(E)-but-2-enedioic acid;4-[3-(4-chlorophenyl)-5-(1-propylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine
CID 159224657
1-[4-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 10318523
4-[3-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
CID 22037702
(E)-but-2-enedioic acid;4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol;methane
CID 160938474
N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide
CID 22954116

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol (CID 10388404) is [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1C1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.
What is the InChIKey of [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol?
The InChIKey is QCVSEEWSVCHGHR-LYBXBRPPSA-N. The full InChI is InChI=1S/C24H28ClN5O/c25-18-7-3-16(4-8-18)23-22(21-11-12-26-15-27-21)24(29-28-23)17-5-9-19(10-6-17)30-13-1-2-20(30)14-31/h3-4,7-8,11-12,15,17,19-20,31H,1-2,5-6,9-10,13-14H2,(H,28,29)/t17?,19?,20-/m1/s1.
What are the key properties of [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol has a molecular weight of 437.98 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 10388404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).