4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine

C14H18FN3O — CID 117412665

IUPAC4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2cnn(C)c2N)cc(F)c1C(C)C
InChIInChI=1S/C14H18FN3O/c1-8(2)13-11(15)5-9(6-12(13)19-4)10-7-17-18(3)14(10)16/h5-8H,16H2,1-4H3
InChIKeyOCKGKEHLSYUSOO-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.94
Rot. Bonds3

About 4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine

4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117412665) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID117412665
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2cnn(C)c2N)cc(F)c1C(C)C
InChIInChI=1S/C14H18FN3O/c1-8(2)13-11(15)5-9(6-12(13)19-4)10-7-17-18(3)14(10)16/h5-8H,16H2,1-4H3
InChIKeyOCKGKEHLSYUSOO-UHFFFAOYSA-N
XLogP2.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444289
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877
4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117315496
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
4-(2,4-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350174
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
5-(5-amino-1-methylpyrazol-4-yl)-2,3-dimethoxybenzonitrile
CID 117399239
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one
CID 177322220
4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine
CID 117359622

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine (CID 117412665) is 4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine is COc1cc(-c2cnn(C)c2N)cc(F)c1C(C)C.
What is the InChIKey of 4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is OCKGKEHLSYUSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-8(2)13-11(15)5-9(6-12(13)19-4)10-7-17-18(3)14(10)16/h5-8H,16H2,1-4H3.
What are the key properties of 4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine?
4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 263.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117412665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).