1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide

C16H15F2N5O — CID 166213772

IUPAC1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1cncn1C
InChIInChI=1S/C16H15F2N5O/c1-10-8-23(15-12(17)4-3-5-13(15)18)21-14(10)16(24)20-7-11-6-19-9-22(11)2/h3-6,8-9H,7H2,1-2H3,(H,20,24)
InChIKeyIBRUHLJMEMFWAJ-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.12
Rot. Bonds4

About 1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide

1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 166213772) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID166213772
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1cncn1C
InChIInChI=1S/C16H15F2N5O/c1-10-8-23(15-12(17)4-3-5-13(15)18)21-14(10)16(24)20-7-11-6-19-9-22(11)2/h3-6,8-9H,7H2,1-2H3,(H,20,24)
InChIKeyIBRUHLJMEMFWAJ-UHFFFAOYSA-N
XLogP2.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide (CID 166213772) is 1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1cncn1C.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is IBRUHLJMEMFWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-10-8-23(15-12(17)4-3-5-13(15)18)21-14(10)16(24)20-7-11-6-19-9-22(11)2/h3-6,8-9H,7H2,1-2H3,(H,20,24).
What are the key properties of 1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide?
1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-methyl-N-[(3-methylimidazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166213772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).