[1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone

C16H19ClN4O — CID 71877338

IUPAC[1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H19ClN4O/c1-12-10-19(2)7-8-20(12)16(22)13-9-18-21(11-13)15-5-3-14(17)4-6-15/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyLGLGBHKGHQKRSF-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.30
Rot. Bonds2

About [1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone

[1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone (PubChem CID 71877338) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is [1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone
PubChem CID71877338
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name[1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H19ClN4O/c1-12-10-19(2)7-8-20(12)16(22)13-9-18-21(11-13)15-5-3-14(17)4-6-15/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyLGLGBHKGHQKRSF-UHFFFAOYSA-N
XLogP2.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850671
N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850684
1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-phenylpiperazine
CID 11624518
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-4-carboxamide
CID 832071
1-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde
CID 6483886
5-butyl-1-(4-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3241247
1-(4-chlorophenyl)-5-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 16194974
[3-[4-(3-Chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 24793257
1-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24793812
1-(4-Chlorophenyl)-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 44412494
1-(4-Chlorophenyl)-4-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 46228536
1-[3-[1-(4-Chlorophenyl)pyrazol-4-yl]propyl]-4-phenylpiperazine
CID 72205045

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone (CID 71877338) is [1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone is CC1CN(C)CCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of [1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is LGLGBHKGHQKRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12-10-19(2)7-8-20(12)16(22)13-9-18-21(11-13)15-5-3-14(17)4-6-15/h3-6,9,11-12H,7-8,10H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone?
[1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 318.81 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)pyrazol-4-yl]-(2,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 71877338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).