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

C15H21N3 — CID 105406297

IUPACN-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-n2ccc(C)n2)c1
InChIInChI=1S/C15H21N3/c1-4-8-16-11-14-6-5-12(2)15(10-14)18-9-7-13(3)17-18/h5-7,9-10,16H,4,8,11H2,1-3H3
InChIKeyCXUKTFIKLCOEDC-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.99
Rot. Bonds5

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

N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 105406297) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
PubChem CID105406297
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-n2ccc(C)n2)c1
InChIInChI=1S/C15H21N3/c1-4-8-16-11-14-6-5-12(2)15(10-14)18-9-7-13(3)17-18/h5-7,9-10,16H,4,8,11H2,1-3H3
InChIKeyCXUKTFIKLCOEDC-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 62489506
2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 63070580
N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406336
4-methyl-3-(3-methylpyrazol-1-yl)aniline
CID 82405406
N-[[3-chloro-4-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 81149996
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
N-methyl-1-[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 105406249
N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62491394
3-methyl-1-(2-pentan-3-yl-5-propylphenyl)pyrazole
CID 126760325
N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62124555
N-[[4-(4-chloropyrazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 55040510
N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
CID 105406253

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine (CID 105406297) is N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(C)c(-n2ccc(C)n2)c1.
What is the InChIKey of N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is CXUKTFIKLCOEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-8-16-11-14-6-5-12(2)15(10-14)18-9-7-13(3)17-18/h5-7,9-10,16H,4,8,11H2,1-3H3.
What are the key properties of N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 105406297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).