4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide

C12H10F2N4O2 — CID 143263402

IUPAC4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1NC(=O)C1=C(F)CC=CC=C1F
InChIInChI=1S/C12H10F2N4O2/c13-6-3-1-2-4-7(14)9(6)12(20)17-8-5-16-18-10(8)11(15)19/h1-3,5H,4H2,(H2,15,19)(H,16,18)(H,17,20)
InChIKeyKKIAMFUFICISRH-UHFFFAOYSA-N
MW280.23 g/mol
LogP1.48
Rot. Bonds3

About 4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide

4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 143263402) has the molecular formula C12H10F2N4O2 and a molecular weight of 280.23 g/mol. Its IUPAC name is 4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID143263402
Molecular FormulaC12H10F2N4O2
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC Name4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1NC(=O)C1=C(F)CC=CC=C1F
InChIInChI=1S/C12H10F2N4O2/c13-6-3-1-2-4-7(14)9(6)12(20)17-8-5-16-18-10(8)11(15)19/h1-3,5H,4H2,(H2,15,19)(H,16,18)(H,17,20)
InChIKeyKKIAMFUFICISRH-UHFFFAOYSA-N
XLogP1.48
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide (CID 143263402) is 4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1NC(=O)C1=C(F)CC=CC=C1F.
What is the InChIKey of 4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is KKIAMFUFICISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2/c13-6-3-1-2-4-7(14)9(6)12(20)17-8-5-16-18-10(8)11(15)19/h1-3,5H,4H2,(H2,15,19)(H,16,18)(H,17,20).
What are the key properties of 4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide?
4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 280.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,7-difluorocyclohepta-1,4,6-triene-1-carbonyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 143263402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).