(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine

C12H14FN3 — CID 43124203

IUPAC(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1ccc(C(N)c2cnn(C)c2)cc1F
InChIInChI=1S/C12H14FN3/c1-8-3-4-9(5-11(8)13)12(14)10-6-15-16(2)7-10/h3-7,12H,14H2,1-2H3
InChIKeySTXSZLCTMYOKMG-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.92
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine

(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 43124203) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID43124203
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1ccc(C(N)c2cnn(C)c2)cc1F
InChIInChI=1S/C12H14FN3/c1-8-3-4-9(5-11(8)13)12(14)10-6-15-16(2)7-10/h3-7,12H,14H2,1-2H3
InChIKeySTXSZLCTMYOKMG-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
CID 107288996
1-(3-fluoro-4-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 107168686
(3-fluoro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156098
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
CID 107129090
1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682464
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 114646818
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404
(1S)-1-[3-fluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938882
(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 63895357
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine (CID 43124203) is (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine is Cc1ccc(C(N)c2cnn(C)c2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is STXSZLCTMYOKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-3-4-9(5-11(8)13)12(14)10-6-15-16(2)7-10/h3-7,12H,14H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine?
(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 219.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43124203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).