2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol

C23H26ClN5O — CID 10093803

IUPAC2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol
SMILESOC1CCCC1N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/C23H26ClN5O/c24-17-6-4-15(5-7-17)22-21(18-8-11-25-14-26-18)23(28-27-22)16-9-12-29(13-10-16)19-2-1-3-20(19)30/h4-8,11,14,16,19-20,30H,1-3,9-10,12-13H2,(H,27,28)
InChIKeyUFZFALKWYRNPQE-UHFFFAOYSA-N
MW423.95 g/mol
LogP4.28
Rot. Bonds4

About 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol

2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol (PubChem CID 10093803) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol
PubChem CID10093803
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol
SMILESOC1CCCC1N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/C23H26ClN5O/c24-17-6-4-15(5-7-17)22-21(18-8-11-25-14-26-18)23(28-27-22)16-9-12-29(13-10-16)19-2-1-3-20(19)30/h4-8,11,14,16,19-20,30H,1-3,9-10,12-13H2,(H,27,28)
InChIKeyUFZFALKWYRNPQE-UHFFFAOYSA-N
XLogP4.28
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol with MolForge

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Related Compounds

Sd-0006
CID 9865587
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-ol
CID 21036711
2-{4-[3-(4-Chlorophenyl)-1-(pyrimidin-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl}-1-phenylethanol
CID 54597177
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-ol
CID 23648273
2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanol
CID 9827288
1-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)-2-methylpropan-2-ol
CID 9844525
p38 MAP Kinase Inhibitor V
CID 9884921
1-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)-2-methoxyethanone
CID 10319451
4-[3-(1-acetylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine
CID 22066045
4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclohexylpyrimidin-2-amine
CID 44591677
4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclopentylpyrimidin-2-amine
CID 44591703
(1S,2S)-2-(4-(3-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)cyclopentanol
CID 46865979

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol (CID 10093803) is 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol is OC1CCCC1N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1.
What is the InChIKey of 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol?
The InChIKey is UFZFALKWYRNPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c24-17-6-4-15(5-7-17)22-21(18-8-11-25-14-26-18)23(28-27-22)16-9-12-29(13-10-16)19-2-1-3-20(19)30/h4-8,11,14,16,19-20,30H,1-3,9-10,12-13H2,(H,27,28).
What are the key properties of 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol?
2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol has a molecular weight of 423.95 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 10093803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).