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

C15H17F3N6O2 — CID 4770965

IUPAC4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(N)=O)n1
InChIInChI=1S/C15H17F3N6O2/c1-2-23-6-9(13(22-23)14(19)26)20-12(25)7-24-10(8-3-4-8)5-11(21-24)15(16,17)18/h5-6,8H,2-4,7H2,1H3,(H2,19,26)(H,20,25)
InChIKeyRUYSFTLJOMXVPO-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.73
Rot. Bonds6

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

4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 4770965) 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-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID4770965
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(N)=O)n1
InChIInChI=1S/C15H17F3N6O2/c1-2-23-6-9(13(22-23)14(19)26)20-12(25)7-24-10(8-3-4-8)5-11(21-24)15(16,17)18/h5-6,8H,2-4,7H2,1H3,(H2,19,26)(H,20,25)
InChIKeyRUYSFTLJOMXVPO-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-3-carboxamide?
The IUPAC name of 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide (CID 4770965) is 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C(N)=O)n1.
What is the InChIKey of 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is RUYSFTLJOMXVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-2-23-6-9(13(22-23)14(19)26)20-12(25)7-24-10(8-3-4-8)5-11(21-24)15(16,17)18/h5-6,8H,2-4,7H2,1H3,(H2,19,26)(H,20,25).
What are the key properties of 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-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-3-carboxamide is sourced from PubChem (CID 4770965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).