N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine

C18H27N3 — CID 105409980

IUPACN-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine
SMILESCCn1nc(C)c(-c2cc(CNC(C)C)ccc2C)c1C
InChIInChI=1S/C18H27N3/c1-7-21-15(6)18(14(5)20-21)17-10-16(9-8-13(17)4)11-19-12(2)3/h8-10,12,19H,7,11H2,1-6H3
InChIKeyUZEXRWDSNWDWTE-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.99
Rot. Bonds5

About N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine

N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine (PubChem CID 105409980) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine
PubChem CID105409980
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine
SMILESCCn1nc(C)c(-c2cc(CNC(C)C)ccc2C)c1C
InChIInChI=1S/C18H27N3/c1-7-21-15(6)18(14(5)20-21)17-10-16(9-8-13(17)4)11-19-12(2)3/h8-10,12,19H,7,11H2,1-6H3
InChIKeyUZEXRWDSNWDWTE-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]ethanamine
CID 105409982
N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
CID 66480856
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylaniline
CID 63805681
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde
CID 105409697
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 63804817
N-[[4-methyl-3-(3-propyltriazol-4-yl)phenyl]methyl]propan-2-amine
CID 105409562
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[3-(2-bromophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105409340

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine (CID 105409980) is N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine is CCn1nc(C)c(-c2cc(CNC(C)C)ccc2C)c1C.
What is the InChIKey of N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine?
The InChIKey is UZEXRWDSNWDWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-21-15(6)18(14(5)20-21)17-10-16(9-8-13(17)4)11-19-12(2)3/h8-10,12,19H,7,11H2,1-6H3.
What are the key properties of N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine?
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 105409980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).