N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide

C26H31N5O2 — CID 78873001

IUPACN-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESCCc1c(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C26H31N5O2/c1-2-24-23(18-28-31(24)19-22-11-7-4-8-12-22)26(33)30-15-13-29(14-16-30)20-25(32)27-17-21-9-5-3-6-10-21/h3-12,18H,2,13-17,19-20H2,1H3,(H,27,32)
InChIKeyJPTCRWKWIFQMFE-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.57
Rot. Bonds8

About N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 78873001) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID78873001
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESCCc1c(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C26H31N5O2/c1-2-24-23(18-28-31(24)19-22-11-7-4-8-12-22)26(33)30-15-13-29(14-16-30)20-25(32)27-17-21-9-5-3-6-10-21/h3-12,18H,2,13-17,19-20H2,1H3,(H,27,32)
InChIKeyJPTCRWKWIFQMFE-UHFFFAOYSA-N
XLogP2.57
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78872672
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112823868
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78874273
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119946370
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 78873065
1-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 78872072

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide (CID 78873001) is N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide is CCc1c(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is JPTCRWKWIFQMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-2-24-23(18-28-31(24)19-22-11-7-4-8-12-22)26(33)30-15-13-29(14-16-30)20-25(32)27-17-21-9-5-3-6-10-21/h3-12,18H,2,13-17,19-20H2,1H3,(H,27,32).
What are the key properties of N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 445.57 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78873001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).