[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone

C11H14ClF3N4O — CID 4767819

IUPAC[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C11H14ClF3N4O/c1-17-3-5-19(6-4-17)10(20)8-7(12)9(11(13,14)15)16-18(8)2/h3-6H2,1-2H3
InChIKeyTYKSSIBCXLFMHU-UHFFFAOYSA-N
MW310.71 g/mol
LogP1.48
Rot. Bonds1

About [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone

[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 4767819) has the molecular formula C11H14ClF3N4O and a molecular weight of 310.71 g/mol. Its IUPAC name is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID4767819
Molecular FormulaC11H14ClF3N4O
Molecular Weight310.71 g/mol
Exact Mass310.08
IUPAC Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C11H14ClF3N4O/c1-17-3-5-19(6-4-17)10(20)8-7(12)9(11(13,14)15)16-18(8)2/h3-6H2,1-2H3
InChIKeyTYKSSIBCXLFMHU-UHFFFAOYSA-N
XLogP1.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 844749
(4-Chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 841673
4-chloro-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 70739636
(4-Chloro-2,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1236013
4-chloro-1-methyl-N-(morpholin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767774
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19575395
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768561
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 742296
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N,N-diethylacetamide
CID 3455021
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768527
4-chloro-N-cyclooctyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769852

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 4767819) is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)CC1.
What is the InChIKey of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is TYKSSIBCXLFMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O/c1-17-3-5-19(6-4-17)10(20)8-7(12)9(11(13,14)15)16-18(8)2/h3-6H2,1-2H3.
What are the key properties of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 310.71 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4767819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).