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

C14H14ClF3N6O2 — CID 4768284

IUPAC4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)c1C(N)=O
InChIInChI=1S/C14H14ClF3N6O2/c1-23-11(13(19)26)7(4-20-23)21-8(25)5-24-10(6-2-3-6)9(15)12(22-24)14(16,17)18/h4,6H,2-3,5H2,1H3,(H2,19,26)(H,21,25)
InChIKeyCJUUMXKPMSWEFV-UHFFFAOYSA-N
MW390.75 g/mol
LogP1.90
Rot. Bonds5

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

4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide (PubChem CID 4768284) has the molecular formula C14H14ClF3N6O2 and a molecular weight of 390.75 g/mol. Its IUPAC name is 4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide
PubChem CID4768284
Molecular FormulaC14H14ClF3N6O2
Molecular Weight390.75 g/mol
Exact Mass390.08
IUPAC Name4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)c1C(N)=O
InChIInChI=1S/C14H14ClF3N6O2/c1-23-11(13(19)26)7(4-20-23)21-8(25)5-24-10(6-2-3-6)9(15)12(22-24)14(16,17)18/h4,6H,2-3,5H2,1H3,(H2,19,26)(H,21,25)
InChIKeyCJUUMXKPMSWEFV-UHFFFAOYSA-N
XLogP1.90
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide (CID 4768284) is 4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C2CC2)c1C(N)=O.
What is the InChIKey of 4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is CJUUMXKPMSWEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N6O2/c1-23-11(13(19)26)7(4-20-23)21-8(25)5-24-10(6-2-3-6)9(15)12(22-24)14(16,17)18/h4,6H,2-3,5H2,1H3,(H2,19,26)(H,21,25).
What are the key properties of 4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide?
4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 390.75 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4768284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).