N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine

C18H27N3 — CID 66481057

IUPACN-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
SMILESCCCn1nc(C)c(-c2ccc(CNCC)cc2C)c1C
InChIInChI=1S/C18H27N3/c1-6-10-21-15(5)18(14(4)20-21)17-9-8-16(11-13(17)3)12-19-7-2/h8-9,11,19H,6-7,10,12H2,1-5H3
InChIKeyHXRLEZCQLUZVPZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.99
Rot. Bonds6

About N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine

N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine (PubChem CID 66481057) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
PubChem CID66481057
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
SMILESCCCn1nc(C)c(-c2ccc(CNCC)cc2C)c1C
InChIInChI=1S/C18H27N3/c1-6-10-21-15(5)18(14(4)20-21)17-9-8-16(11-13(17)3)12-19-7-2/h8-9,11,19H,6-7,10,12H2,1-5H3
InChIKeyHXRLEZCQLUZVPZ-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine (CID 66481057) is N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine is CCCn1nc(C)c(-c2ccc(CNCC)cc2C)c1C.
What is the InChIKey of N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine?
The InChIKey is HXRLEZCQLUZVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-10-21-15(5)18(14(4)20-21)17-9-8-16(11-13(17)3)12-19-7-2/h8-9,11,19H,6-7,10,12H2,1-5H3.
What are the key properties of N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine?
N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 66481057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).