3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide

C17H14F2N4O — CID 144618606

IUPAC3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1-c1ccc(Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H14F2N4O/c18-12-6-5-11(13(19)8-12)7-9-1-3-10(4-2-9)15-14(17(21)24)16(20)23-22-15/h1-6,8H,7H2,(H2,21,24)(H3,20,22,23)
InChIKeyHCYOFFXCZKHBIH-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.63
Rot. Bonds4

About 3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide

3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 144618606) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID144618606
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1-c1ccc(Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H14F2N4O/c18-12-6-5-11(13(19)8-12)7-9-1-3-10(4-2-9)15-14(17(21)24)16(20)23-22-15/h1-6,8H,7H2,(H2,21,24)(H3,20,22,23)
InChIKeyHCYOFFXCZKHBIH-UHFFFAOYSA-N
XLogP2.63
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide (CID 144618606) is 3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide is NC(=O)c1c(N)n[nH]c1-c1ccc(Cc2ccc(F)cc2F)cc1.
What is the InChIKey of 3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is HCYOFFXCZKHBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-12-6-5-11(13(19)8-12)7-9-1-3-10(4-2-9)15-14(17(21)24)16(20)23-22-15/h1-6,8H,7H2,(H2,21,24)(H3,20,22,23).
What are the key properties of 3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide?
3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 144618606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).