[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

C21H24ClN5O2 — CID 71708955

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)[nH]n1
InChIInChI=1S/C21H24ClN5O2/c1-13-19(14(2)26(3)25-13)17-12-18(24-23-17)20(28)27-10-8-21(29,9-11-27)15-4-6-16(22)7-5-15/h4-7,12,29H,8-11H2,1-3H3,(H,23,24)
InChIKeyHCGJLSKCFMEKSE-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.20
Rot. Bonds3

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 71708955) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
PubChem CID71708955
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)[nH]n1
InChIInChI=1S/C21H24ClN5O2/c1-13-19(14(2)26(3)25-13)17-12-18(24-23-17)20(28)27-10-8-21(29,9-11-27)15-4-6-16(22)7-5-15/h4-7,12,29H,8-11H2,1-3H3,(H,23,24)
InChIKeyHCGJLSKCFMEKSE-UHFFFAOYSA-N
XLogP3.20
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-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

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone (CID 71708955) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone is Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)[nH]n1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is HCGJLSKCFMEKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-13-19(14(2)26(3)25-13)17-12-18(24-23-17)20(28)27-10-8-21(29,9-11-27)15-4-6-16(22)7-5-15/h4-7,12,29H,8-11H2,1-3H3,(H,23,24).
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 413.91 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 71708955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).