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

C13H16F2N6O2 — CID 4772077

IUPAC4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)F)cc2C)c1C(N)=O
InChIInChI=1S/C13H16F2N6O2/c1-3-20-11(13(16)23)9(5-17-20)18-10(22)6-21-7(2)4-8(19-21)12(14)15/h4-5,12H,3,6H2,1-2H3,(H2,16,23)(H,18,22)
InChIKeyPZNMTPTYZPQWPJ-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.08
Rot. Bonds6

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

4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide (PubChem CID 4772077) 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-5-carboxamide.

Molecular Properties

Compound Name4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide
PubChem CID4772077
Molecular FormulaC13H16F2N6O2
Molecular Weight326.31 g/mol
Exact Mass326.13
IUPAC Name4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)F)cc2C)c1C(N)=O
InChIInChI=1S/C13H16F2N6O2/c1-3-20-11(13(16)23)9(5-17-20)18-10(22)6-21-7(2)4-8(19-21)12(14)15/h4-5,12H,3,6H2,1-2H3,(H2,16,23)(H,18,22)
InChIKeyPZNMTPTYZPQWPJ-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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide (CID 4772077) is 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)Cn2nc(C(F)F)cc2C)c1C(N)=O.
What is the InChIKey of 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide?
The InChIKey is PZNMTPTYZPQWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N6O2/c1-3-20-11(13(16)23)9(5-17-20)18-10(22)6-21-7(2)4-8(19-21)12(14)15/h4-5,12H,3,6H2,1-2H3,(H2,16,23)(H,18,22).
What are the key properties of 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-carboxamide?
4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethylpyrazole-5-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-5-carboxamide is sourced from PubChem (CID 4772077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).