N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine

C17H16F2N4O — CID 67057547

IUPACN-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine
SMILESCOCc1cc(Nc2ccc(F)c(F)c2)nn1-c1ccnc(C)c1
InChIInChI=1S/C17H16F2N4O/c1-11-7-13(5-6-20-11)23-14(10-24-2)9-17(22-23)21-12-3-4-15(18)16(19)8-12/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyHWXWMZIHVILBQK-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.74
Rot. Bonds5

About N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine

N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine (PubChem CID 67057547) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine
PubChem CID67057547
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine
SMILESCOCc1cc(Nc2ccc(F)c(F)c2)nn1-c1ccnc(C)c1
InChIInChI=1S/C17H16F2N4O/c1-11-7-13(5-6-20-11)23-14(10-24-2)9-17(22-23)21-12-3-4-15(18)16(19)8-12/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyHWXWMZIHVILBQK-UHFFFAOYSA-N
XLogP3.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine?
The IUPAC name of N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine (CID 67057547) is N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine is COCc1cc(Nc2ccc(F)c(F)c2)nn1-c1ccnc(C)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine?
The InChIKey is HWXWMZIHVILBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-11-7-13(5-6-20-11)23-14(10-24-2)9-17(22-23)21-12-3-4-15(18)16(19)8-12/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine?
N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine has a molecular weight of 330.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(methoxymethyl)-1-(2-methyl-4-pyridinyl)pyrazol-3-amine is sourced from PubChem (CID 67057547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).