(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H22ClN5O — CID 18282347

IUPAC(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H22ClN5O/c1-16-19(20(22)27(24-16)15-17-7-3-2-4-8-17)21(28)26-13-11-25(12-14-26)18-9-5-6-10-23-18/h2-10H,11-15H2,1H3
InChIKeyFQGYTFVZJUGOEB-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.25
Rot. Bonds4

About (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 18282347) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID18282347
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H22ClN5O/c1-16-19(20(22)27(24-16)15-17-7-3-2-4-8-17)21(28)26-13-11-25(12-14-26)18-9-5-6-10-23-18/h2-10H,11-15H2,1H3
InChIKeyFQGYTFVZJUGOEB-UHFFFAOYSA-N
XLogP3.25
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 32646074
1-[4-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 26959582
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78874273
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653
(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56814101
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 60593358
(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 95900961
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56544545
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 26290398

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 18282347) is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FQGYTFVZJUGOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-16-19(20(22)27(24-16)15-17-7-3-2-4-8-17)21(28)26-13-11-25(12-14-26)18-9-5-6-10-23-18/h2-10H,11-15H2,1H3.
What are the key properties of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 395.89 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 18282347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).