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

C19H20ClN5O — CID 57180253

IUPAC[1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol
SMILESOCC1CNCCN1c1n[nH]c(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C19H20ClN5O/c20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(24-23-18)25-10-9-22-11-16(25)12-26/h1-8,16,22,26H,9-12H2,(H,23,24)
InChIKeyCTNHLLOJKVGNQE-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.56
Rot. Bonds4

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

[1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol (PubChem CID 57180253) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is [1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol
PubChem CID57180253
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name[1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol
SMILESOCC1CNCCN1c1n[nH]c(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C19H20ClN5O/c20-15-3-1-14(2-4-15)18-17(13-5-7-21-8-6-13)19(24-23-18)25-10-9-22-11-16(25)12-26/h1-8,16,22,26H,9-12H2,(H,23,24)
InChIKeyCTNHLLOJKVGNQE-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

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Related Compounds

Sd-0006
CID 9865587
1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
1-[5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]-3,5-dimethylpiperazine
CID 9842184
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-ol
CID 21036711
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-3-methylpiperazine
CID 22037576
2-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
CID 22953665
Tinengotinib
CID 137279257
4-[3-(4-chlorophenyl)-5-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 23648269
4-[3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
CID 23648270
2-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-decahydroisoquinoline
CID 23648271
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-decahydroquinoline
CID 23648272
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-4-ol
CID 23648273

Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol?
The IUPAC name of [1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol (CID 57180253) is [1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol.
What is the SMILES notation for [1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol?
The canonical SMILES for [1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol is OCC1CNCCN1c1n[nH]c(-c2ccc(Cl)cc2)c1-c1ccncc1.
What is the InChIKey of [1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol?
The InChIKey is CTNHLLOJKVGNQE-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)25-10-9-22-11-16(25)12-26/h1-8,16,22,26H,9-12H2,(H,23,24).
What are the key properties of [1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol?
[1-[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 [1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-2-yl]methanol is sourced from PubChem (CID 57180253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).