[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol

C19H20ClN5O — CID 22037645

IUPAC[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol
SMILESOCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1
InChIInChI=1S/C19H20ClN5O/c20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(24-23-18)25-10-9-22-16(11-25)12-26/h1-8,16,22,26H,9-12H2,(H,23,24)
InChIKeyNKVXGMGNYLEABT-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.56
Rot. Bonds4

About [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol

[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol (PubChem CID 22037645) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol
PubChem CID22037645
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol
SMILESOCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1
InChIInChI=1S/C19H20ClN5O/c20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(24-23-18)25-10-9-22-16(11-25)12-26/h1-8,16,22,26H,9-12H2,(H,23,24)
InChIKeyNKVXGMGNYLEABT-UHFFFAOYSA-N
XLogP2.56
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-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

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol?
The IUPAC name of [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol (CID 22037645) is [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol.
What is the SMILES notation for [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol?
The canonical SMILES for [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol is OCC1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1.
What is the InChIKey of [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol?
The InChIKey is NKVXGMGNYLEABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(24-23-18)25-10-9-22-16(11-25)12-26/h1-8,16,22,26H,9-12H2,(H,23,24).
What are the key properties of [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol?
[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol has a molecular weight of 369.86 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol is sourced from PubChem (CID 22037645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).