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

C20H21ClN6O — CID 32646074

IUPAC(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H21ClN6O/c1-15-18(19(21)27(24-15)14-16-5-3-2-4-6-16)20(28)26-11-9-25(10-12-26)17-13-22-7-8-23-17/h2-8,13H,9-12,14H2,1H3
InChIKeyXFTLQWJOXRPCDQ-UHFFFAOYSA-N
MW396.88 g/mol
LogP2.65
Rot. Bonds4

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

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 32646074) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID32646074
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H21ClN6O/c1-15-18(19(21)27(24-15)14-16-5-3-2-4-6-16)20(28)26-11-9-25(10-12-26)17-13-22-7-8-23-17/h2-8,13H,9-12,14H2,1H3
InChIKeyXFTLQWJOXRPCDQ-UHFFFAOYSA-N
XLogP2.65
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18282347
1-[4-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 26959582
(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024012
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694905
2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one
CID 163350513
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653
(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
1-[4-[4-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55487627
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859788
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 78774100

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 32646074) is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XFTLQWJOXRPCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-15-18(19(21)27(24-15)14-16-5-3-2-4-6-16)20(28)26-11-9-25(10-12-26)17-13-22-7-8-23-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 396.88 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 32646074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).