1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol

C19H19ClN4O — CID 23648273

IUPAC1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol
SMILESOC1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C19H19ClN4O/c20-15-3-1-14(2-4-15)18-17(13-5-9-21-10-6-13)19(23-22-18)24-11-7-16(25)8-12-24/h1-6,9-10,16,25H,7-8,11-12H2,(H,22,23)
InChIKeyDAGIKZZLKORVEA-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.75
Rot. Bonds3

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

1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol (PubChem CID 23648273) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol
PubChem CID23648273
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol
SMILESOC1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C19H19ClN4O/c20-15-3-1-14(2-4-15)18-17(13-5-9-21-10-6-13)19(23-22-18)24-11-7-16(25)8-12-24/h1-6,9-10,16,25H,7-8,11-12H2,(H,22,23)
InChIKeyDAGIKZZLKORVEA-UHFFFAOYSA-N
XLogP3.75
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol?
The IUPAC name of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol (CID 23648273) is 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol is OC1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol?
The InChIKey is DAGIKZZLKORVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-15-3-1-14(2-4-15)18-17(13-5-9-21-10-6-13)19(23-22-18)24-11-7-16(25)8-12-24/h1-6,9-10,16,25H,7-8,11-12H2,(H,22,23).
What are the key properties of 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol?
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol has a molecular weight of 354.84 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-ol is sourced from PubChem (CID 23648273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).