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

C18H27N3 — CID 62123852

IUPACN-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine
SMILESCCc1c(C)nn(-c2ccc(CNC(C)C)cc2C)c1C
InChIInChI=1S/C18H27N3/c1-7-17-14(5)20-21(15(17)6)18-9-8-16(10-13(18)4)11-19-12(2)3/h8-10,12,19H,7,11H2,1-6H3
InChIKeyOTIBDGRDZFYHKU-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.86
Rot. Bonds5

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

N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 62123852) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine
PubChem CID62123852
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine
SMILESCCc1c(C)nn(-c2ccc(CNC(C)C)cc2C)c1C
InChIInChI=1S/C18H27N3/c1-7-17-14(5)20-21(15(17)6)18-9-8-16(10-13(18)4)11-19-12(2)3/h8-10,12,19H,7,11H2,1-6H3
InChIKeyOTIBDGRDZFYHKU-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine (CID 62123852) is N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine is CCc1c(C)nn(-c2ccc(CNC(C)C)cc2C)c1C.
What is the InChIKey of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is OTIBDGRDZFYHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-17-14(5)20-21(15(17)6)18-9-8-16(10-13(18)4)11-19-12(2)3/h8-10,12,19H,7,11H2,1-6H3.
What are the key properties of N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 62123852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).