3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide

C11H7F5N4O — CID 115564788

IUPAC3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H7F5N4O/c1-2-3(10(17)20-19-2)11(21)18-9-7(15)5(13)4(12)6(14)8(9)16/h1H3,(H,18,21)(H3,17,19,20)
InChIKeyMOBRMCFXBMCKBQ-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.25
Rot. Bonds2

About 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide

3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 115564788) has the molecular formula C11H7F5N4O and a molecular weight of 306.19 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID115564788
Molecular FormulaC11H7F5N4O
Molecular Weight306.19 g/mol
Exact Mass306.05
IUPAC Name3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H7F5N4O/c1-2-3(10(17)20-19-2)11(21)18-9-7(15)5(13)4(12)6(14)8(9)16/h1H3,(H,18,21)(H3,17,19,20)
InChIKeyMOBRMCFXBMCKBQ-UHFFFAOYSA-N
XLogP2.25
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide
CID 115563988
3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 43337131
3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide
CID 83023624
3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61468161
3-amino-N-(1,3-dimethylpyrazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 102806908
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65452365
3-amino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1486828
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 104620121
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106240270
3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 64643635
3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 55053425

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide (CID 115564788) is 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MOBRMCFXBMCKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N4O/c1-2-3(10(17)20-19-2)11(21)18-9-7(15)5(13)4(12)6(14)8(9)16/h1H3,(H,18,21)(H3,17,19,20).
What are the key properties of 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide?
3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 306.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115564788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).