4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide

C10H8F2N4O — CID 63107429

IUPAC4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C10H8F2N4O/c11-5-2-1-3-6(12)8(5)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyUAADMTLPZGMKQC-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.52
Rot. Bonds2

About 4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 63107429) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID63107429
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C10H8F2N4O/c11-5-2-1-3-6(12)8(5)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKeyUAADMTLPZGMKQC-UHFFFAOYSA-N
XLogP1.52
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 63107427
4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 55177446
4-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63105759
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide
CID 79768952
4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 107466425
4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63106114
4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 63105942
4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 55178983
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 63101769
6-amino-N-(2,6-difluorophenyl)pyridine-3-carboxamide
CID 62155427
4-amino-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 63104822

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide (CID 63107429) is 4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UAADMTLPZGMKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-5-2-1-3-6(12)8(5)15-10(17)9-7(13)4-14-16-9/h1-4H,13H2,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 238.20 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63107429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).