2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

C14H18FN3O — CID 103872150

IUPAC2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCOc1ccc(F)c(NCc2cnn(C(C)C)c2)c1
InChIInChI=1S/C14H18FN3O/c1-10(2)18-9-11(8-17-18)7-16-14-6-12(19-3)4-5-13(14)15/h4-6,8-10,16H,7H2,1-3H3
InChIKeyIXOPSYDRIWZJBV-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.22
Rot. Bonds5

About 2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline (PubChem CID 103872150) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
PubChem CID103872150
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCOc1ccc(F)c(NCc2cnn(C(C)C)c2)c1
InChIInChI=1S/C14H18FN3O/c1-10(2)18-9-11(8-17-18)7-16-14-6-12(19-3)4-5-13(14)15/h4-6,8-10,16H,7H2,1-3H3
InChIKeyIXOPSYDRIWZJBV-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
3-chloro-5-fluoro-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818393
2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113253994
N-[(3-chloro-4-fluorophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 81145371
4-methoxy-2-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 81299070
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661
2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042537
3-bromo-2-(methoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818965
N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904039
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline (CID 103872150) is 2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline is COc1ccc(F)c(NCc2cnn(C(C)C)c2)c1.
What is the InChIKey of 2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The InChIKey is IXOPSYDRIWZJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(2)18-9-11(8-17-18)7-16-14-6-12(19-3)4-5-13(14)15/h4-6,8-10,16H,7H2,1-3H3.
What are the key properties of 2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline has a molecular weight of 263.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 103872150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).