5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine

C12H15FN4O — CID 86782900

IUPAC5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCOc1c(CNc2ccc(F)cn2)c(C)nn1C
InChIInChI=1S/C12H15FN4O/c1-8-10(12(18-3)17(2)16-8)7-15-11-5-4-9(13)6-14-11/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyVHLDDNBRJRMBKA-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.88
Rot. Bonds4

About 5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine

5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 86782900) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID86782900
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCOc1c(CNc2ccc(F)cn2)c(C)nn1C
InChIInChI=1S/C12H15FN4O/c1-8-10(12(18-3)17(2)16-8)7-15-11-5-4-9(13)6-14-11/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyVHLDDNBRJRMBKA-UHFFFAOYSA-N
XLogP1.88
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 42635815
US9670214, Table 16.52
CID 42635464
2-(4-methoxyphenyl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
CID 10566755
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine
CID 118430610
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 45825557
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 47198184
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 51080213
4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
CID 51104901
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine
CID 51104902
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
CID 51104949
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
CID 51104956
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
CID 51104985

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine (CID 86782900) is 5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine is COc1c(CNc2ccc(F)cn2)c(C)nn1C.
What is the InChIKey of 5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is VHLDDNBRJRMBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-8-10(12(18-3)17(2)16-8)7-15-11-5-4-9(13)6-14-11/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine?
5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 250.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 86782900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).