[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C20H20ClN5O2 — CID 99818472

IUPAC[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1nn(-c2ccc(Cl)cc2)cc1O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H20ClN5O2/c21-16-1-3-17(4-2-16)26-14-18(27)19(23-26)20(28)25-11-9-24(10-12-25)13-15-5-7-22-8-6-15/h1-8,14,27H,9-13H2
InChIKeyHMVBYYGQMDGTLZ-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.58
Rot. Bonds4

About [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 99818472) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID99818472
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1nn(-c2ccc(Cl)cc2)cc1O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H20ClN5O2/c21-16-1-3-17(4-2-16)26-14-18(27)19(23-26)20(28)25-11-9-24(10-12-25)13-15-5-7-22-8-6-15/h1-8,14,27H,9-13H2
InChIKeyHMVBYYGQMDGTLZ-UHFFFAOYSA-N
XLogP2.58
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(1,3-diphenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226122
[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 24625309
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 86781778
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 106686183
2-(4-chlorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52988489
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 91648718
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(4-bromophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 52988481
6-(4-benzylpiperazine-1-carbonyl)-2-(4-chlorophenyl)-4-methyl-1,2,4-triazine-3,5-dione
CID 53088627
(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78833649

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 99818472) is [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is O=C(c1nn(-c2ccc(Cl)cc2)cc1O)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is HMVBYYGQMDGTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c21-16-1-3-17(4-2-16)26-14-18(27)19(23-26)20(28)25-11-9-24(10-12-25)13-15-5-7-22-8-6-15/h1-8,14,27H,9-13H2.
What are the key properties of [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
[1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 397.87 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-4-hydroxypyrazol-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 99818472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).