5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine

C16H15FN4O — CID 75517162

IUPAC5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(-c2[nH]ncc2CNc2ccc(F)cn2)cc1
InChIInChI=1S/C16H15FN4O/c1-22-14-5-2-11(3-6-14)16-12(9-20-21-16)8-18-15-7-4-13(17)10-19-15/h2-7,9-10H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyPQTHTOPVDZGLNO-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.23
Rot. Bonds5

About 5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine

5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine (PubChem CID 75517162) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine
PubChem CID75517162
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(-c2[nH]ncc2CNc2ccc(F)cn2)cc1
InChIInChI=1S/C16H15FN4O/c1-22-14-5-2-11(3-6-14)16-12(9-20-21-16)8-18-15-7-4-13(17)10-19-15/h2-7,9-10H,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyPQTHTOPVDZGLNO-UHFFFAOYSA-N
XLogP3.23
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
6-ethyl-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrimidin-3-ium-2-amine
CID 72889625
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-fluoro-4-methylpyridin-2-amine
CID 68721011
1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
CID 111425263
5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
CID 42512816
5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 61311581
1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine
CID 146044844
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79490434
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine (CID 75517162) is 5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine is COc1ccc(-c2[nH]ncc2CNc2ccc(F)cn2)cc1.
What is the InChIKey of 5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine?
The InChIKey is PQTHTOPVDZGLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-22-14-5-2-11(3-6-14)16-12(9-20-21-16)8-18-15-7-4-13(17)10-19-15/h2-7,9-10H,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine?
5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine has a molecular weight of 298.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 75517162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).