(1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone

C12H20N4O — CID 82510734

IUPAC(1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone
SMILESCC(C)c1c(C(=O)N2CCNCC2)cnn1C
InChIInChI=1S/C12H20N4O/c1-9(2)11-10(8-14-15(11)3)12(17)16-6-4-13-5-7-16/h8-9,13H,4-7H2,1-3H3
InChIKeyNCSZJQKEZHDUKR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.59
Rot. Bonds2

About (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone

(1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 82510734) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone
PubChem CID82510734
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone
SMILESCC(C)c1c(C(=O)N2CCNCC2)cnn1C
InChIInChI=1S/C12H20N4O/c1-9(2)11-10(8-14-15(11)3)12(17)16-6-4-13-5-7-16/h8-9,13H,4-7H2,1-3H3
InChIKeyNCSZJQKEZHDUKR-UHFFFAOYSA-N
XLogP0.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-diazepan-1-yl-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 119416222
piperazin-1-yl-(2-propan-2-ylphenyl)methanone
CID 82510229
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 47136455
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 82509447
2-(4-fluorophenyl)-1-[4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 55657260
(4-methyl-3-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119401446
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
6-tert-butyl-2-methyl-4-(piperazine-1-carbonyl)pyridazin-3-one
CID 82443516
(5-cyclopropyl-1-methylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995300

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone (CID 82510734) is (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone is CC(C)c1c(C(=O)N2CCNCC2)cnn1C.
What is the InChIKey of (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is NCSZJQKEZHDUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)11-10(8-14-15(11)3)12(17)16-6-4-13-5-7-16/h8-9,13H,4-7H2,1-3H3.
What are the key properties of (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone?
(1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 236.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-propan-2-ylpyrazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82510734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).