1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one

C19H22N4O2 — CID 70739627

IUPAC1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C3(Cn4cccn4)CC3)CC2=O)cc1
InChIInChI=1S/C19H22N4O2/c1-15-3-5-16(6-4-15)23-12-11-21(13-17(23)24)18(25)19(7-8-19)14-22-10-2-9-20-22/h2-6,9-10H,7-8,11-14H2,1H3
InChIKeyUSHLUVVFVNPRGF-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.85
Rot. Bonds4

About 1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one

1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one (PubChem CID 70739627) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one
PubChem CID70739627
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C3(Cn4cccn4)CC3)CC2=O)cc1
InChIInChI=1S/C19H22N4O2/c1-15-3-5-16(6-4-15)23-12-11-21(13-17(23)24)18(25)19(7-8-19)14-22-10-2-9-20-22/h2-6,9-10H,7-8,11-14H2,1H3
InChIKeyUSHLUVVFVNPRGF-UHFFFAOYSA-N
XLogP1.85
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 91836779
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70717876
4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70748846
[(3R)-3-methyl-3-phenylpiperidin-1-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
CID 97127397
4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70765820
4-ethyl-2-methyl-5-[1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 56741717
4-[(3R)-3-(2-methylimidazol-1-yl)butanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 96574232
1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
CID 70743066
4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70741390
[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
CID 56758757
1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one
CID 70756809

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one (CID 70739627) is 1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one is Cc1ccc(N2CCN(C(=O)C3(Cn4cccn4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one?
The InChIKey is USHLUVVFVNPRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15-3-5-16(6-4-15)23-12-11-21(13-17(23)24)18(25)19(7-8-19)14-22-10-2-9-20-22/h2-6,9-10H,7-8,11-14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one?
1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperazin-2-one is sourced from PubChem (CID 70739627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).