3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide

C14H20ClF3N4O — CID 19554238

IUPAC3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCC(=O)NC1CCN(C)CC1
InChIInChI=1S/C14H20ClF3N4O/c1-9-12(15)13(14(16,17)18)20-22(9)8-5-11(23)19-10-3-6-21(2)7-4-10/h10H,3-8H2,1-2H3,(H,19,23)
InChIKeyVNOWPQSWLDXWJH-UHFFFAOYSA-N
MW352.79 g/mol
LogP2.46
Rot. Bonds4

About 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 19554238) has the molecular formula C14H20ClF3N4O and a molecular weight of 352.79 g/mol. Its IUPAC name is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID19554238
Molecular FormulaC14H20ClF3N4O
Molecular Weight352.79 g/mol
Exact Mass352.13
IUPAC Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCC(=O)NC1CCN(C)CC1
InChIInChI=1S/C14H20ClF3N4O/c1-9-12(15)13(14(16,17)18)20-22(9)8-5-11(23)19-10-3-6-21(2)7-4-10/h10H,3-8H2,1-2H3,(H,19,23)
InChIKeyVNOWPQSWLDXWJH-UHFFFAOYSA-N
XLogP2.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3124864
N-(tert-butyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]acetamide
CID 744102
N-{3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}cyclopentanecarboxamide
CID 2970594
N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4037655
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide
CID 4769516
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 4770913
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19575395
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 742296
(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51390380
2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide
CID 71938717
(4-Chloro-1,5-dimethylpyrazol-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 128923183
4-chloro-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4769163

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (CID 19554238) is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)NC1CCN(C)CC1.
What is the InChIKey of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is VNOWPQSWLDXWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N4O/c1-9-12(15)13(14(16,17)18)20-22(9)8-5-11(23)19-10-3-6-21(2)7-4-10/h10H,3-8H2,1-2H3,(H,19,23).
What are the key properties of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 352.79 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 19554238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).