2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C24H32N4O2 — CID 78887521

IUPAC2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCCc1c(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C24H32N4O2/c1-2-22-21(17-25-28(22)18-20-8-4-3-5-9-20)24(30)27-14-10-19(11-15-27)16-23(29)26-12-6-7-13-26/h3-5,8-9,17,19H,2,6-7,10-16,18H2,1H3
InChIKeySFZPSLGJEJRTGH-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.36
Rot. Bonds6

About 2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 78887521) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID78887521
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESCCc1c(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C24H32N4O2/c1-2-22-21(17-25-28(22)18-20-8-4-3-5-9-20)24(30)27-14-10-19(11-15-27)16-23(29)26-12-6-7-13-26/h3-5,8-9,17,19H,2,6-7,10-16,18H2,1H3
InChIKeySFZPSLGJEJRTGH-UHFFFAOYSA-N
XLogP3.36
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
1-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 78872072
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352
[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 78873697
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-benzyl-5-ethylpyrazol-4-yl)methanone
CID 120814271
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637530
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589891
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 78887521) is 2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is CCc1c(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of 2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is SFZPSLGJEJRTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-2-22-21(17-25-28(22)18-20-8-4-3-5-9-20)24(30)27-14-10-19(11-15-27)16-23(29)26-12-6-7-13-26/h3-5,8-9,17,19H,2,6-7,10-16,18H2,1H3.
What are the key properties of 2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 408.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 78887521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).