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

C14H15F3N6O2 — CID 4768570

IUPAC4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1C(N)=O
InChIInChI=1S/C14H15F3N6O2/c1-22-12(13(18)25)8(5-19-22)20-11(24)6-23-9(7-2-3-7)4-10(21-23)14(15,16)17/h4-5,7H,2-3,6H2,1H3,(H2,18,25)(H,20,24)
InChIKeyYAZDHFTYWXUWPQ-UHFFFAOYSA-N
MW356.31 g/mol
LogP1.25
Rot. Bonds5

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

4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide (PubChem CID 4768570) has the molecular formula C14H15F3N6O2 and a molecular weight of 356.31 g/mol. Its IUPAC name is 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide
PubChem CID4768570
Molecular FormulaC14H15F3N6O2
Molecular Weight356.31 g/mol
Exact Mass356.12
IUPAC Name4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1C(N)=O
InChIInChI=1S/C14H15F3N6O2/c1-22-12(13(18)25)8(5-19-22)20-11(24)6-23-9(7-2-3-7)4-10(21-23)14(15,16)17/h4-5,7H,2-3,6H2,1H3,(H2,18,25)(H,20,24)
InChIKeyYAZDHFTYWXUWPQ-UHFFFAOYSA-N
XLogP1.25
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 51.25
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-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide (CID 4768570) is 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide is Cn1ncc(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-methylpyrazole-5-carboxamide?
The InChIKey is YAZDHFTYWXUWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O2/c1-22-12(13(18)25)8(5-19-22)20-11(24)6-23-9(7-2-3-7)4-10(21-23)14(15,16)17/h4-5,7H,2-3,6H2,1H3,(H2,18,25)(H,20,24).
What are the key properties of 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide?
4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 356.31 g/mol, XLogP of 1.25, 5 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-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4768570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).