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

C11H7F5N4O — CID 115563988

IUPAC4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1N
InChIInChI=1S/C11H7F5N4O/c1-2-8(17)10(20-19-2)11(21)18-9-6(15)4(13)3(12)5(14)7(9)16/h17H2,1H3,(H,18,21)(H,19,20)
InChIKeyMVFRJKRCVUSGDX-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.25
Rot. Bonds2

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

4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 115563988) has the molecular formula C11H7F5N4O and a molecular weight of 306.19 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID115563988
Molecular FormulaC11H7F5N4O
Molecular Weight306.19 g/mol
Exact Mass306.05
IUPAC Name4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1N
InChIInChI=1S/C11H7F5N4O/c1-2-8(17)10(20-19-2)11(21)18-9-6(15)4(13)3(12)5(14)7(9)16/h17H2,1H3,(H,18,21)(H,19,20)
InChIKeyMVFRJKRCVUSGDX-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide (CID 115563988) is 4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MVFRJKRCVUSGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N4O/c1-2-8(17)10(20-19-2)11(21)18-9-6(15)4(13)3(12)5(14)7(9)16/h17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-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 4-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 115563988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).