[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C20H22ClN5O — CID 120732506

IUPAC[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cnn(-c2ccc(C(=O)N3CCNCC3c3cccnc3)cc2)c1.Cl
InChIInChI=1S/C20H21N5O.ClH/c1-15-11-23-25(14-15)18-6-4-16(5-7-18)20(26)24-10-9-22-13-19(24)17-3-2-8-21-12-17;/h2-8,11-12,14,19,22H,9-10,13H2,1H3;1H
InChIKeyUNMHDYCYBZWJMU-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.78
Rot. Bonds3

About [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120732506) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120732506
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cnn(-c2ccc(C(=O)N3CCNCC3c3cccnc3)cc2)c1.Cl
InChIInChI=1S/C20H21N5O.ClH/c1-15-11-23-25(14-15)18-6-4-16(5-7-18)20(26)24-10-9-22-13-19(24)17-3-2-8-21-12-17;/h2-8,11-12,14,19,22H,9-10,13H2,1H3;1H
InChIKeyUNMHDYCYBZWJMU-UHFFFAOYSA-N
XLogP2.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732507
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730793
[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731736
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730315
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730316
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(4-bromo-3-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732014
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728895
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120732506) is [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is Cc1cnn(-c2ccc(C(=O)N3CCNCC3c3cccnc3)cc2)c1.Cl.
What is the InChIKey of [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is UNMHDYCYBZWJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O.ClH/c1-15-11-23-25(14-15)18-6-4-16(5-7-18)20(26)24-10-9-22-13-19(24)17-3-2-8-21-12-17;/h2-8,11-12,14,19,22H,9-10,13H2,1H3;1H.
What are the key properties of [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120732506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).