4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide

C15H17F3N6O2 — CID 19575836

IUPAC4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1C(N)=O
InChIInChI=1S/C15H17F3N6O2/c1-2-23-13(14(19)26)9(6-20-23)21-12(25)7-24-10(8-3-4-8)5-11(22-24)15(16,17)18/h5-6,8H,2-4,7H2,1H3,(H2,19,26)(H,21,25)
InChIKeyRFWBNDFUHHPSRZ-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.73
Rot. Bonds6

About 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide

4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide (PubChem CID 19575836) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide
PubChem CID19575836
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1C(N)=O
InChIInChI=1S/C15H17F3N6O2/c1-2-23-13(14(19)26)9(6-20-23)21-12(25)7-24-10(8-3-4-8)5-11(22-24)15(16,17)18/h5-6,8H,2-4,7H2,1H3,(H2,19,26)(H,21,25)
InChIKeyRFWBNDFUHHPSRZ-UHFFFAOYSA-N
XLogP1.73
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide (CID 19575836) is 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1C(N)=O.
What is the InChIKey of 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide?
The InChIKey is RFWBNDFUHHPSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-2-23-13(14(19)26)9(6-20-23)21-12(25)7-24-10(8-3-4-8)5-11(22-24)15(16,17)18/h5-6,8H,2-4,7H2,1H3,(H2,19,26)(H,21,25).
What are the key properties of 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide?
4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide has a molecular weight of 370.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19575836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).