4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide

C13H16F2N6O2 — CID 4771619

IUPAC4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2nc(C(F)F)cc2C)c(C(N)=O)n1
InChIInChI=1S/C13H16F2N6O2/c1-3-20-5-9(11(19-20)13(16)23)17-10(22)6-21-7(2)4-8(18-21)12(14)15/h4-5,12H,3,6H2,1-2H3,(H2,16,23)(H,17,22)
InChIKeyHMFCCFMVDSDHLP-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.08
Rot. Bonds6

About 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide

4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 4771619) has the molecular formula C13H16F2N6O2 and a molecular weight of 326.31 g/mol. Its IUPAC name is 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID4771619
Molecular FormulaC13H16F2N6O2
Molecular Weight326.31 g/mol
Exact Mass326.13
IUPAC Name4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2nc(C(F)F)cc2C)c(C(N)=O)n1
InChIInChI=1S/C13H16F2N6O2/c1-3-20-5-9(11(19-20)13(16)23)17-10(22)6-21-7(2)4-8(18-21)12(14)15/h4-5,12H,3,6H2,1-2H3,(H2,16,23)(H,17,22)
InChIKeyHMFCCFMVDSDHLP-UHFFFAOYSA-N
XLogP1.08
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide (CID 4771619) is 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)Cn2nc(C(F)F)cc2C)c(C(N)=O)n1.
What is the InChIKey of 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is HMFCCFMVDSDHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N6O2/c1-3-20-5-9(11(19-20)13(16)23)17-10(22)6-21-7(2)4-8(18-21)12(14)15/h4-5,12H,3,6H2,1-2H3,(H2,16,23)(H,17,22).
What are the key properties of 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 4771619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).