(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone

C22H24N4O — CID 119576322

IUPAC(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCN1
InChIInChI=1S/C22H24N4O/c1-17-14-25(13-12-23-17)22(27)20-16-26(15-18-8-4-2-5-9-18)24-21(20)19-10-6-3-7-11-19/h2-11,16-17,23H,12-15H2,1H3
InChIKeyCBSJLVYRPRKAEN-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.03
Rot. Bonds4

About (1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone

(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 119576322) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
PubChem CID119576322
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCN1
InChIInChI=1S/C22H24N4O/c1-17-14-25(13-12-23-17)22(27)20-16-26(15-18-8-4-2-5-9-18)24-21(20)19-10-6-3-7-11-19/h2-11,16-17,23H,12-15H2,1H3
InChIKeyCBSJLVYRPRKAEN-UHFFFAOYSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 24575611
[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400241
methyl (2R)-4-(1-benzyl-3-phenylpyrazole-4-carbonyl)thiomorpholine-2-carboxylate
CID 9272475
[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119417240
(1-benzyl-3-phenylpyrazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31415184
ethyl 1-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 42916406
[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620567
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(1,4-diazepan-1-yl)methanone
CID 119416124
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124688381
[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55849958
2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide
CID 86953684
1-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 134061676

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone (CID 119576322) is (1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CCN1.
What is the InChIKey of (1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is CBSJLVYRPRKAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-14-25(13-12-23-17)22(27)20-16-26(15-18-8-4-2-5-9-18)24-21(20)19-10-6-3-7-11-19/h2-11,16-17,23H,12-15H2,1H3.
What are the key properties of (1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone?
(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119576322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).