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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Related Compounds

N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
CID 66480856
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]ethanamine
CID 105409982
1-[5-chloro-2-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66156509
2-[3-chloro-4-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]acetic acid
CID 167846775
N-[[4-(4-fluoro-2,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106879378
2-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-fluorobenzoic acid
CID 63804811
5-(3,5-dimethyl-1-propylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 79048835
N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106882243
N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66099332
N-[[3-methyl-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114689849
N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66096186
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine
CID 105409980

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).