[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C15H22N6O — CID 120878312

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCNCC2c2nccn2C)n[nH]1
InChIInChI=1S/C15H22N6O/c1-10(2)11-8-12(19-18-11)15(22)21-7-4-16-9-13(21)14-17-5-6-20(14)3/h5-6,8,10,13,16H,4,7,9H2,1-3H3,(H,18,19)
InChIKeyAXHDMYCEPCKTBR-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.05
Rot. Bonds3

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 120878312) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID120878312
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCNCC2c2nccn2C)n[nH]1
InChIInChI=1S/C15H22N6O/c1-10(2)11-8-12(19-18-11)15(22)21-7-4-16-9-13(21)14-17-5-6-20(14)3/h5-6,8,10,13,16H,4,7,9H2,1-3H3,(H,18,19)
InChIKeyAXHDMYCEPCKTBR-UHFFFAOYSA-N
XLogP1.05
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879017
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877861
imidazo[1,2-a]pyrazin-8-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878426
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
(2,4-dichloro-5-methylsulfanylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877708
[2-(3-chlorophenyl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120802596
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120879634
(4-chloro-1H-pyrrol-2-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877855
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
2-methyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 120880079
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 120878312) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCNCC2c2nccn2C)n[nH]1.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is AXHDMYCEPCKTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10(2)11-8-12(19-18-11)15(22)21-7-4-16-9-13(21)14-17-5-6-20(14)3/h5-6,8,10,13,16H,4,7,9H2,1-3H3,(H,18,19).
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 120878312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).