3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide

C12H13ClF3N5O — CID 19570577

IUPAC3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)C(C)Cn1cc(Cl)cn1
InChIInChI=1S/C12H13ClF3N5O/c1-6(4-21-5-8(13)3-17-21)11(22)18-9-7(2)19-20-10(9)12(14,15)16/h3,5-6H,4H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyUDIKVHGYTHQKOR-UHFFFAOYSA-N
MW335.72 g/mol
LogP2.86
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide

3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide (PubChem CID 19570577) has the molecular formula C12H13ClF3N5O and a molecular weight of 335.72 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
PubChem CID19570577
Molecular FormulaC12H13ClF3N5O
Molecular Weight335.72 g/mol
Exact Mass335.08
IUPAC Name3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)C(C)Cn1cc(Cl)cn1
InChIInChI=1S/C12H13ClF3N5O/c1-6(4-21-5-8(13)3-17-21)11(22)18-9-7(2)19-20-10(9)12(14,15)16/h3,5-6H,4H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyUDIKVHGYTHQKOR-UHFFFAOYSA-N
XLogP2.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
CID 19539710
3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
CID 19570325
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
CID 19532076
3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 75358524
3-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 19570403
3-(4-chloropyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19570296
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 35535310
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 19570526
3-(4-bromopyrazol-1-yl)-2-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19564680
3-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methylpropanamide
CID 19570569
4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19570564
(2S)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 51392006

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide (CID 19570577) is 3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide is Cc1[nH]nc(C(F)(F)F)c1NC(=O)C(C)Cn1cc(Cl)cn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
The InChIKey is UDIKVHGYTHQKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N5O/c1-6(4-21-5-8(13)3-17-21)11(22)18-9-7(2)19-20-10(9)12(14,15)16/h3,5-6H,4H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide has a molecular weight of 335.72 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-2-methyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 19570577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).