1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide

C13H15F3N6O2 — CID 4771296

IUPAC1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C13H15F3N6O2/c1-6-4-9(13(14,15)16)20-22(6)7(2)12(24)19-8-5-18-21(3)10(8)11(17)23/h4-5,7H,1-3H3,(H2,17,23)(H,19,24)
InChIKeySRXHPCKPFLSZEO-UHFFFAOYSA-N
MW344.30 g/mol
LogP1.24
Rot. Bonds4

About 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide

1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide (PubChem CID 4771296) has the molecular formula C13H15F3N6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide
PubChem CID4771296
Molecular FormulaC13H15F3N6O2
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC Name1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C13H15F3N6O2/c1-6-4-9(13(14,15)16)20-22(6)7(2)12(24)19-8-5-18-21(3)10(8)11(17)23/h4-5,7H,1-3H3,(H2,17,23)(H,19,24)
InChIKeySRXHPCKPFLSZEO-UHFFFAOYSA-N
XLogP1.24
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide (CID 4771296) is 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(C)c1C(N)=O.
What is the InChIKey of 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide?
The InChIKey is SRXHPCKPFLSZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O2/c1-6-4-9(13(14,15)16)20-22(6)7(2)12(24)19-8-5-18-21(3)10(8)11(17)23/h4-5,7H,1-3H3,(H2,17,23)(H,19,24).
What are the key properties of 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide?
1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]pyrazole-5-carboxamide is sourced from PubChem (CID 4771296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).