1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide

C7H7F3N4O2 — CID 19412294

IUPAC1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C7H7F3N4O2/c1-14-4(5(11)15)3(2-12-14)13-6(16)7(8,9)10/h2H,1H3,(H2,11,15)(H,13,16)
InChIKeyQQRAJJNUVLFAGS-UHFFFAOYSA-N
MW236.15 g/mol
LogP0.02
Rot. Bonds2

About 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide

1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide (PubChem CID 19412294) has the molecular formula C7H7F3N4O2 and a molecular weight of 236.15 g/mol. Its IUPAC name is 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
PubChem CID19412294
Molecular FormulaC7H7F3N4O2
Molecular Weight236.15 g/mol
Exact Mass236.05
IUPAC Name1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C7H7F3N4O2/c1-14-4(5(11)15)3(2-12-14)13-6(16)7(8,9)10/h2H,1H3,(H2,11,15)(H,13,16)
InChIKeyQQRAJJNUVLFAGS-UHFFFAOYSA-N
XLogP0.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768469
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
1-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrazole-5-carboxamide
CID 17381795
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-bromo-N-(5-carbamoyl-1-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 4767722
4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4768049
1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 4865270
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
CID 19412305
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide
CID 19410607
4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412367

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide (CID 19412294) is 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide is Cn1ncc(NC(=O)C(F)(F)F)c1C(N)=O.
What is the InChIKey of 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide?
The InChIKey is QQRAJJNUVLFAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O2/c1-14-4(5(11)15)3(2-12-14)13-6(16)7(8,9)10/h2H,1H3,(H2,11,15)(H,13,16).
What are the key properties of 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide?
1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide has a molecular weight of 236.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide is sourced from PubChem (CID 19412294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).