2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H13F3N4O3 — CID 79799075

IUPAC2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1nn(C)c(NC(C)(C(=O)O)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C10H13F3N4O3/c1-4-5(6(14)18)7(17(3)16-4)15-9(2,8(19)20)10(11,12)13/h15H,1-3H3,(H2,14,18)(H,19,20)
InChIKeyWEFRDVXMICFRDC-UHFFFAOYSA-N
MW294.23 g/mol
LogP0.64
Rot. Bonds4

About 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79799075) has the molecular formula C10H13F3N4O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79799075
Molecular FormulaC10H13F3N4O3
Molecular Weight294.23 g/mol
Exact Mass294.09
IUPAC Name2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCc1nn(C)c(NC(C)(C(=O)O)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C10H13F3N4O3/c1-4-5(6(14)18)7(17(3)16-4)15-9(2,8(19)20)10(11,12)13/h15H,1-3H3,(H2,14,18)(H,19,20)
InChIKeyWEFRDVXMICFRDC-UHFFFAOYSA-N
XLogP0.64
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79799075) is 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is Cc1nn(C)c(NC(C)(C(=O)O)C(F)(F)F)c1C(N)=O.
What is the InChIKey of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is WEFRDVXMICFRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O3/c1-4-5(6(14)18)7(17(3)16-4)15-9(2,8(19)20)10(11,12)13/h15H,1-3H3,(H2,14,18)(H,19,20).
What are the key properties of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 294.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79799075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).