(4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone

C20H21N5O — CID 119063293

IUPAC(4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2ccnc(-c3ccc(-n4cccn4)cc3)c2)CC1
InChIInChI=1S/C20H21N5O/c1-23-11-13-24(14-12-23)20(26)17-7-9-21-19(15-17)16-3-5-18(6-4-16)25-10-2-8-22-25/h2-10,15H,11-14H2,1H3
InChIKeyYEPTUFNFQSGZNS-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.32
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone

(4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone (PubChem CID 119063293) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone
PubChem CID119063293
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2ccnc(-c3ccc(-n4cccn4)cc3)c2)CC1
InChIInChI=1S/C20H21N5O/c1-23-11-13-24(14-12-23)20(26)17-7-9-21-19(15-17)16-3-5-18(6-4-16)25-10-2-8-22-25/h2-10,15H,11-14H2,1H3
InChIKeyYEPTUFNFQSGZNS-UHFFFAOYSA-N
XLogP2.32
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(1-ethoxyethyl)phenyl]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 74251376
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 32532341
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-pyrazol-1-ylphenyl)ethanone
CID 78875687
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 4731355
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 117094329
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
(4-methylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372090

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone (CID 119063293) is (4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone is CN1CCN(C(=O)c2ccnc(-c3ccc(-n4cccn4)cc3)c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone?
The InChIKey is YEPTUFNFQSGZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-23-11-13-24(14-12-23)20(26)17-7-9-21-19(15-17)16-3-5-18(6-4-16)25-10-2-8-22-25/h2-10,15H,11-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone has a molecular weight of 347.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone is sourced from PubChem (CID 119063293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).