1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine

C15H21N3 — CID 43714916

IUPAC1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccnn1C)c1ccc(C)cc1
InChIInChI=1S/C15H21N3/c1-4-15(13-7-5-12(2)6-8-13)16-11-14-9-10-17-18(14)3/h5-10,15-16H,4,11H2,1-3H3
InChIKeyPWMZRKGOTWCCJY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine

1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 43714916) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID43714916
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccnn1C)c1ccc(C)cc1
InChIInChI=1S/C15H21N3/c1-4-15(13-7-5-12(2)6-8-13)16-11-14-9-10-17-18(14)3/h5-10,15-16H,4,11H2,1-3H3
InChIKeyPWMZRKGOTWCCJY-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43674084
N-[(3-methylimidazol-4-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 62998625
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
CID 61168691
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
1-(4-methylphenyl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62749243
1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43681733
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 113350444
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 82885094
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 115651392
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 43714916) is 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is CCC(NCc1ccnn1C)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is PWMZRKGOTWCCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-15(13-7-5-12(2)6-8-13)16-11-14-9-10-17-18(14)3/h5-10,15-16H,4,11H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 43714916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).