N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C13H20F3N3O — CID 58780744

IUPACN-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)N(CC(C)(C)C)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C13H20F3N3O/c1-8(2)19(7-12(3,4)5)11(20)9-6-10(18-17-9)13(14,15)16/h6,8H,7H2,1-5H3,(H,17,18)
InChIKeyPGSCLMVGICNWFV-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.33
Rot. Bonds3

About N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 58780744) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID58780744
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)N(CC(C)(C)C)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C13H20F3N3O/c1-8(2)19(7-12(3,4)5)11(20)9-6-10(18-17-9)13(14,15)16/h6,8H,7H2,1-5H3,(H,17,18)
InChIKeyPGSCLMVGICNWFV-UHFFFAOYSA-N
XLogP3.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 1229878
N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 178112245
N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508355
N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide
CID 119584562
N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 29152157
N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119660642
N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120721
N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 144610886
6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889742
1-pyrrolidin-1-ylethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
CID 175204653
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190641

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 58780744) is N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CC(C)N(CC(C)(C)C)C(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is PGSCLMVGICNWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-8(2)19(7-12(3,4)5)11(20)9-6-10(18-17-9)13(14,15)16/h6,8H,7H2,1-5H3,(H,17,18).
What are the key properties of N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 58780744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).