2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide

C24H27N5O2 — CID 86953684

IUPAC2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C24H27N5O2/c1-18(23(25)30)27-12-14-28(15-13-27)24(31)21-17-29(16-19-8-4-2-5-9-19)26-22(21)20-10-6-3-7-11-20/h2-11,17-18H,12-16H2,1H3,(H2,25,30)
InChIKeyUVLJIXQQLDXNFV-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.23
Rot. Bonds6

About 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide

2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide (PubChem CID 86953684) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide
PubChem CID86953684
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C24H27N5O2/c1-18(23(25)30)27-12-14-28(15-13-27)24(31)21-17-29(16-19-8-4-2-5-9-19)26-22(21)20-10-6-3-7-11-20/h2-11,17-18H,12-16H2,1H3,(H2,25,30)
InChIKeyUVLJIXQQLDXNFV-UHFFFAOYSA-N
XLogP2.23
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55849958
1-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 134061676
(1-benzyl-3-phenylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 24575611
(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576322
[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone
CID 8006130
[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400241
2-[4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 36521915
[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55493749
(4-aminopiperidin-1-yl)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119374601
methyl (2R)-4-(1-benzyl-3-phenylpyrazole-4-carbonyl)thiomorpholine-2-carboxylate
CID 9272475
4-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55720784
[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574853

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide (CID 86953684) is 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is UVLJIXQQLDXNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18(23(25)30)27-12-14-28(15-13-27)24(31)21-17-29(16-19-8-4-2-5-9-19)26-22(21)20-10-6-3-7-11-20/h2-11,17-18H,12-16H2,1H3,(H2,25,30).
What are the key properties of 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide?
2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86953684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).