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

C20H22ClN5O — CID 22037343

IUPAC[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol
SMILESCN1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1CO
InChIInChI=1S/C20H22ClN5O/c1-25-10-11-26(12-17(25)13-27)20-18(14-6-8-22-9-7-14)19(23-24-20)15-2-4-16(21)5-3-15/h2-9,17,27H,10-13H2,1H3,(H,23,24)
InChIKeyMKLYCZRPRDKWRW-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.90
Rot. Bonds4

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

[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol (PubChem CID 22037343) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol
PubChem CID22037343
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol
SMILESCN1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1CO
InChIInChI=1S/C20H22ClN5O/c1-25-10-11-26(12-17(25)13-27)20-18(14-6-8-22-9-7-14)19(23-24-20)15-2-4-16(21)5-3-15/h2-9,17,27H,10-13H2,1H3,(H,23,24)
InChIKeyMKLYCZRPRDKWRW-UHFFFAOYSA-N
XLogP2.90
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol (CID 22037343) is [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol is CN1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1CO.
What is the InChIKey of [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol?
The InChIKey is MKLYCZRPRDKWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-25-10-11-26(12-17(25)13-27)20-18(14-6-8-22-9-7-14)19(23-24-20)15-2-4-16(21)5-3-15/h2-9,17,27H,10-13H2,1H3,(H,23,24).
What are the key properties of [4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol?
[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]methanol has a molecular weight of 383.88 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 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]-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 22037343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).