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

C20H21N5O — CID 120732507

IUPAC[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1cnn(-c2ccc(C(=O)N3CCNCC3c3cccnc3)cc2)c1
InChIInChI=1S/C20H21N5O/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
InChIKeyVDQCQMXTNXGSJF-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.36
Rot. Bonds3

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

[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120732507) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120732507
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1cnn(-c2ccc(C(=O)N3CCNCC3c3cccnc3)cc2)c1
InChIInChI=1S/C20H21N5O/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
InChIKeyVDQCQMXTNXGSJF-UHFFFAOYSA-N
XLogP2.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.36
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;hydrochloride
CID 120732506
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731736
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730316
[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
(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730315
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(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
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
[4-(1,3-dithian-2-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729661

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120732507) is [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1cnn(-c2ccc(C(=O)N3CCNCC3c3cccnc3)cc2)c1.
What is the InChIKey of [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is VDQCQMXTNXGSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/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.
What are the key properties of [4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.36, 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 is sourced from PubChem (CID 120732507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).