N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine

C16H23N3 — CID 103014636

IUPACN-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCNCC(CCc1cnn(C)c1)c1cccc(C)c1
InChIInChI=1S/C16H23N3/c1-13-5-4-6-15(9-13)16(11-17-2)8-7-14-10-18-19(3)12-14/h4-6,9-10,12,16-17H,7-8,11H2,1-3H3
InChIKeyQSTQQJLQXRKGBY-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.66
Rot. Bonds6

About N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine

N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 103014636) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID103014636
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCNCC(CCc1cnn(C)c1)c1cccc(C)c1
InChIInChI=1S/C16H23N3/c1-13-5-4-6-15(9-13)16(11-17-2)8-7-14-10-18-19(3)12-14/h4-6,9-10,12,16-17H,7-8,11H2,1-3H3
InChIKeyQSTQQJLQXRKGBY-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014697
4-[4-bromo-3-(3-methylphenyl)butyl]-1-methylpyrazole
CID 103018542
[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine
CID 79417284
N-methyl-2-(3-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323720
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810
1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103023672
N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417186
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine
CID 79429956
2-[(2-bromophenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014397

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine (CID 103014636) is N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine is CNCC(CCc1cnn(C)c1)c1cccc(C)c1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is QSTQQJLQXRKGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13-5-4-6-15(9-13)16(11-17-2)8-7-14-10-18-19(3)12-14/h4-6,9-10,12,16-17H,7-8,11H2,1-3H3.
What are the key properties of N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine?
N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 103014636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).