4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide

C8H11F3N4O — CID 65354392

IUPAC4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-15-4-5(12)6(14-15)7(16)13-3-2-8(9,10)11/h4H,2-3,12H2,1H3,(H,13,16)
InChIKeyIDSHEHSFCLHMGH-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.68
Rot. Bonds3

About 4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide

4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide (PubChem CID 65354392) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
PubChem CID65354392
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-15-4-5(12)6(14-15)7(16)13-3-2-8(9,10)11/h4H,2-3,12H2,1H3,(H,13,16)
InChIKeyIDSHEHSFCLHMGH-UHFFFAOYSA-N
XLogP0.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
CID 65354139
4-amino-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide
CID 106208279
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 66169769
4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
CID 65354090

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide (CID 65354392) is 4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCCC(F)(F)F)n1.
What is the InChIKey of 4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide?
The InChIKey is IDSHEHSFCLHMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-15-4-5(12)6(14-15)7(16)13-3-2-8(9,10)11/h4H,2-3,12H2,1H3,(H,13,16).
What are the key properties of 4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide?
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide has a molecular weight of 236.20 g/mol, XLogP of 0.68, 3 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-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65354392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).