N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine

C17H25N3 — CID 63272233

IUPACN-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(Cc2ccccc2C)c1C
InChIInChI=1S/C17H25N3/c1-5-10-18-14(3)17-11-19-20(15(17)4)12-16-9-7-6-8-13(16)2/h6-9,11,14,18H,5,10,12H2,1-4H3
InChIKeyQQSNPHMNPMXDKW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.61
Rot. Bonds6

About N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine

N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 63272233) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
PubChem CID63272233
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(Cc2ccccc2C)c1C
InChIInChI=1S/C17H25N3/c1-5-10-18-14(3)17-11-19-20(15(17)4)12-16-9-7-6-8-13(16)2/h6-9,11,14,18H,5,10,12H2,1-4H3
InChIKeyQQSNPHMNPMXDKW-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441388
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 61272120
2-[(2-methylphenyl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220104
N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62797527
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine
CID 63278624
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N-[1-[2-(2-methylphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63531998
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
N-[1-(2-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 107984713
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63977027
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 61271347

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine (CID 63272233) is N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1cnn(Cc2ccccc2C)c1C.
What is the InChIKey of N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is QQSNPHMNPMXDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-10-18-14(3)17-11-19-20(15(17)4)12-16-9-7-6-8-13(16)2/h6-9,11,14,18H,5,10,12H2,1-4H3.
What are the key properties of N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63272233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).