1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C14H18FN3 — CID 103030310

IUPAC1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCc1cccc(C(N)CCc2cnn(C)c2)c1F
InChIInChI=1S/C14H18FN3/c1-10-4-3-5-12(14(10)15)13(16)7-6-11-8-17-18(2)9-11/h3-5,8-9,13H,6-7,16H2,1-2H3
InChIKeyCIAXDOVJYOZCIK-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.50
Rot. Bonds4

About 1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103030310) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103030310
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCc1cccc(C(N)CCc2cnn(C)c2)c1F
InChIInChI=1S/C14H18FN3/c1-10-4-3-5-12(14(10)15)13(16)7-6-11-8-17-18(2)9-11/h3-5,8-9,13H,6-7,16H2,1-2H3
InChIKeyCIAXDOVJYOZCIK-UHFFFAOYSA-N
XLogP2.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 114024293
4-[4-bromo-3-(2-methylphenyl)butyl]-1-methylpyrazole
CID 103018532
3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
CID 103029571
3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030188
3-(1-methylpyrazol-4-yl)-1-(4-methylthiadiazol-5-yl)propan-1-amine
CID 103029778
1-(2,3-dimethylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030048
3-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-5-yl)propan-1-amine
CID 103011577
1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011839
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064355

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103030310) is 1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is Cc1cccc(C(N)CCc2cnn(C)c2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is CIAXDOVJYOZCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10-4-3-5-12(14(10)15)13(16)7-6-11-8-17-18(2)9-11/h3-5,8-9,13H,6-7,16H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103030310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).