1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine

C14H18N4 — CID 117358254

IUPAC1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine
SMILESCN1CC(c2ccc(-c3cnn(C)c3N)cc2)C1
InChIInChI=1S/C14H18N4/c1-17-8-12(9-17)10-3-5-11(6-4-10)13-7-16-18(2)14(13)15/h3-7,12H,8-9,15H2,1-2H3
InChIKeyWOENHAIWBPVHOE-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.70
Rot. Bonds2

About 1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine

1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine (PubChem CID 117358254) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine
PubChem CID117358254
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine
SMILESCN1CC(c2ccc(-c3cnn(C)c3N)cc2)C1
InChIInChI=1S/C14H18N4/c1-17-8-12(9-17)10-3-5-11(6-4-10)13-7-16-18(2)14(13)15/h3-7,12H,8-9,15H2,1-2H3
InChIKeyWOENHAIWBPVHOE-UHFFFAOYSA-N
XLogP1.70
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117365796
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine
CID 117330808
1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine
CID 117390611
1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine
CID 117401972
4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
CID 117407893
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117370752
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117459944
4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117448979
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine (CID 117358254) is 1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine is CN1CC(c2ccc(-c3cnn(C)c3N)cc2)C1.
What is the InChIKey of 1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine?
The InChIKey is WOENHAIWBPVHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-17-8-12(9-17)10-3-5-11(6-4-10)13-7-16-18(2)14(13)15/h3-7,12H,8-9,15H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine?
1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine has a molecular weight of 242.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 117358254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).