(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine

C16H23N3 — CID 105187932

IUPAC(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCCCc1cccc(C(N)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H23N3/c1-5-7-13-8-6-9-14(10-13)16(17)15-11(2)18-19(4)12(15)3/h6,8-10,16H,5,7,17H2,1-4H3
InChIKeyRBVAIRLNHXUNCR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.04
Rot. Bonds4

About (3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine

(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105187932) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105187932
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCCCc1cccc(C(N)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H23N3/c1-5-7-13-8-6-9-14(10-13)16(17)15-11(2)18-19(4)12(15)3/h6,8-10,16H,5,7,17H2,1-4H3
InChIKeyRBVAIRLNHXUNCR-UHFFFAOYSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188108
N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105187849
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine
CID 105187884
(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
CID 105050580
1-(3-propylphenyl)ethanamine
CID 116543909
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187988
(2-methylpyrimidin-4-yl)-(3-propylphenyl)methanamine
CID 116544988
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188112
(5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105155533
(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol
CID 116542830

Frequently Asked Questions

What is the IUPAC name of (3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of (3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105187932) is (3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine is CCCc1cccc(C(N)c2c(C)nn(C)c2C)c1.
What is the InChIKey of (3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is RBVAIRLNHXUNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-7-13-8-6-9-14(10-13)16(17)15-11(2)18-19(4)12(15)3/h6,8-10,16H,5,7,17H2,1-4H3.
What are the key properties of (3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine?
(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105187932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).