2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C21H27N5O2 — CID 17401105

IUPAC2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C21H27N5O2/c1-17-8-9-22-26(17)19-6-4-18(5-7-19)21(28)25-14-12-23(13-15-25)16-20(27)24-10-2-3-11-24/h4-9H,2-3,10-16H2,1H3
InChIKeyGRRUPKPWFQUJBW-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 17401105) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID17401105
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C21H27N5O2/c1-17-8-9-22-26(17)19-6-4-18(5-7-19)21(28)25-14-12-23(13-15-25)16-20(27)24-10-2-3-11-24/h4-9H,2-3,10-16H2,1H3
InChIKeyGRRUPKPWFQUJBW-UHFFFAOYSA-N
XLogP1.56
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851
1-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 17429847
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9475070
methyl 1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-4-carboxylate
CID 47010037
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 9476777
1-(azepan-1-yl)-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]ethanone
CID 35610437
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
[4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 35825271
2-[4-(4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858899

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 17401105) is 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is Cc1ccnn1-c1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is GRRUPKPWFQUJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-17-8-9-22-26(17)19-6-4-18(5-7-19)21(28)25-14-12-23(13-15-25)16-20(27)24-10-2-3-11-24/h4-9H,2-3,10-16H2,1H3.
What are the key properties of 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 381.48 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 17401105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).