1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine

C13H15F2N3 — CID 63076995

IUPAC1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(-n2nc(C)cc2C)c(F)c1
InChIInChI=1S/C13H15F2N3/c1-8-4-9(2)18(17-8)13-11(14)5-10(7-16-3)6-12(13)15/h4-6,16H,7H2,1-3H3
InChIKeyYPWOGGRGKKKNTN-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.49
Rot. Bonds3

About 1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine

1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine (PubChem CID 63076995) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine
PubChem CID63076995
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(-n2nc(C)cc2C)c(F)c1
InChIInChI=1S/C13H15F2N3/c1-8-4-9(2)18(17-8)13-11(14)5-10(7-16-3)6-12(13)15/h4-6,16H,7H2,1-3H3
InChIKeyYPWOGGRGKKKNTN-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63076994
[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methanol
CID 63076539
1-[4-(3,5-dimethylpyrazol-1-yl)-3-methylphenyl]-N-methylmethanamine
CID 62123849
1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine
CID 63076477
N-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]cyclopropanamine
CID 43282151
3-(3,5-dimethylpyrazol-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115609211
3-fluoro-2-methyl-5-(methylaminomethyl)phenol
CID 84765552
1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine
CID 63051245
1-[3,5-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylmethanamine
CID 66371529
3,5-dimethyl-1-[4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]pyrazole
CID 112819165
1-[2-(3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43282141
1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine
CID 63805016

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine (CID 63076995) is 1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine is CNCc1cc(F)c(-n2nc(C)cc2C)c(F)c1.
What is the InChIKey of 1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine?
The InChIKey is YPWOGGRGKKKNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-8-4-9(2)18(17-8)13-11(14)5-10(7-16-3)6-12(13)15/h4-6,16H,7H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine?
1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 63076995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).