N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C9H10F3N3O — CID 19477474

IUPACN-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CC1
InChIInChI=1S/C9H10F3N3O/c1-15-6(8(16)13-5-2-3-5)4-7(14-15)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,16)
InChIKeyARANQDFENNCXEC-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.33
Rot. Bonds2

About N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19477474) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19477474
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC NameN-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CC1
InChIInChI=1S/C9H10F3N3O/c1-15-6(8(16)13-5-2-3-5)4-7(14-15)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,16)
InChIKeyARANQDFENNCXEC-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 156608717
N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 39854597
N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 39854596
4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229364
3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 119389510
N-butyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480290
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-5-yl]pyrazole-5-carboxamide
CID 177050907
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125171084
1-methyl-3-(trifluoromethyl)-N-[(5R)-1-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-5-yl]pyrazole-5-carboxamide
CID 177051237
N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
CID 30772760
N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177296060

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19477474) is N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ARANQDFENNCXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-15-6(8(16)13-5-2-3-5)4-7(14-15)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,16).
What are the key properties of N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 233.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19477474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).