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

C16H23N3 — CID 105408843

IUPACN-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-c2ccnn2CC)c1
InChIInChI=1S/C16H23N3/c1-4-9-17-12-14-7-6-13(3)15(11-14)16-8-10-18-19(16)5-2/h6-8,10-11,17H,4-5,9,12H2,1-3H3
InChIKeyRVWWNEWLJPJWDN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.38
Rot. Bonds6

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

N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine (PubChem CID 105408843) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine
PubChem CID105408843
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-c2ccnn2CC)c1
InChIInChI=1S/C16H23N3/c1-4-9-17-12-14-7-6-13(3)15(11-14)16-8-10-18-19(16)5-2/h6-8,10-11,17H,4-5,9,12H2,1-3H3
InChIKeyRVWWNEWLJPJWDN-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.38
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

1-[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]-N-methylmethanamine
CID 105408840
3-(2-ethylpyrazol-3-yl)-4-methylbenzaldehyde
CID 105408142
N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 105410082
N-[[3-(1-ethyl-5-methylpyrazol-4-yl)-4-fluorophenyl]methyl]propan-1-amine
CID 66099118
N-[[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 81447351
N-[[2-(2-ethylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 114557194
N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114689849
N-[[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408556
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]ethanamine
CID 105409982
N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
CID 19625048
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-[(4-imidazo[1,2-a]pyridin-5-yl-3-methylphenyl)methyl]propan-1-amine
CID 102626379

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine (CID 105408843) is N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine is CCCNCc1ccc(C)c(-c2ccnn2CC)c1.
What is the InChIKey of N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine?
The InChIKey is RVWWNEWLJPJWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-9-17-12-14-7-6-13(3)15(11-14)16-8-10-18-19(16)5-2/h6-8,10-11,17H,4-5,9,12H2,1-3H3.
What are the key properties of N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine?
N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylpyrazol-3-yl)-4-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 105408843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).