(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C21H24N6O — CID 78874237

IUPAC(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C21H24N6O/c1-2-19-18(15-24-27(19)16-17-7-4-3-5-8-17)20(28)25-11-13-26(14-12-25)21-22-9-6-10-23-21/h3-10,15H,2,11-14,16H2,1H3
InChIKeyICPWCKIZEIEXES-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.25
Rot. Bonds5

About (1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 78874237) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is (1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID78874237
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C21H24N6O/c1-2-19-18(15-24-27(19)16-17-7-4-3-5-8-17)20(28)25-11-13-26(14-12-25)21-22-9-6-10-23-21/h3-10,15H,2,11-14,16H2,1H3
InChIKeyICPWCKIZEIEXES-UHFFFAOYSA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78874273
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112823868
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 78873065
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78872672
1-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 78872072
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 78873001
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 78874237) is (1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ICPWCKIZEIEXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-19-18(15-24-27(19)16-17-7-4-3-5-8-17)20(28)25-11-13-26(14-12-25)21-22-9-6-10-23-21/h3-10,15H,2,11-14,16H2,1H3.
What are the key properties of (1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 78874237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).