4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide

C9H11F3N4O — CID 106208279

IUPAC4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H11F3N4O/c1-16-4-5(13)6(15-16)7(17)14-8(2-3-8)9(10,11)12/h4H,2-3,13H2,1H3,(H,14,17)
InChIKeyBMVBGFHCVATNHL-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.83
Rot. Bonds2

About 4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide

4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide (PubChem CID 106208279) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide
PubChem CID106208279
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C9H11F3N4O/c1-16-4-5(13)6(15-16)7(17)14-8(2-3-8)9(10,11)12/h4H,2-3,13H2,1H3,(H,14,17)
InChIKeyBMVBGFHCVATNHL-UHFFFAOYSA-N
XLogP0.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
CID 65354139
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 66169769
4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 106119084
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide
CID 106139412
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208197

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide (CID 106208279) is 4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide?
The InChIKey is BMVBGFHCVATNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-16-4-5(13)6(15-16)7(17)14-8(2-3-8)9(10,11)12/h4H,2-3,13H2,1H3,(H,14,17).
What are the key properties of 4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide?
4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide has a molecular weight of 248.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide is sourced from PubChem (CID 106208279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).