[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

C21H23N5O — CID 120731736

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCNCC3c3cccnc3)cc2)n1
InChIInChI=1S/C21H23N5O/c1-15-12-16(2)26(24-15)19-7-5-17(6-8-19)21(27)25-11-10-23-14-20(25)18-4-3-9-22-13-18/h3-9,12-13,20,23H,10-11,14H2,1-2H3
InChIKeyKFDYWOXHZUZYMT-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.67
Rot. Bonds3

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120731736) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120731736
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCNCC3c3cccnc3)cc2)n1
InChIInChI=1S/C21H23N5O/c1-15-12-16(2)26(24-15)19-7-5-17(6-8-19)21(27)25-11-10-23-14-20(25)18-4-3-9-22-13-18/h3-9,12-13,20,23H,10-11,14H2,1-2H3
InChIKeyKFDYWOXHZUZYMT-UHFFFAOYSA-N
XLogP2.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.67
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-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730175
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732506
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288
[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730793
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728919
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731720

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120731736) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCNCC3c3cccnc3)cc2)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is KFDYWOXHZUZYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-12-16(2)26(24-15)19-7-5-17(6-8-19)21(27)25-11-10-23-14-20(25)18-4-3-9-22-13-18/h3-9,12-13,20,23H,10-11,14H2,1-2H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120731736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).