5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine

C16H23N3 — CID 82089342

IUPAC5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc(C)c(-c2c(N)n[nH]c2CC(C)C)c(C)c1
InChIInChI=1S/C16H23N3/c1-9(2)6-13-15(16(17)19-18-13)14-11(4)7-10(3)8-12(14)5/h7-9H,6H2,1-5H3,(H3,17,18,19)
InChIKeyDXUMDIHZYNBQLK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.78
Rot. Bonds3

About 5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine

5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine (PubChem CID 82089342) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
PubChem CID82089342
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc(C)c(-c2c(N)n[nH]c2CC(C)C)c(C)c1
InChIInChI=1S/C16H23N3/c1-9(2)6-13-15(16(17)19-18-13)14-11(4)7-10(3)8-12(14)5/h7-9H,6H2,1-5H3,(H3,17,18,19)
InChIKeyDXUMDIHZYNBQLK-UHFFFAOYSA-N
XLogP3.78
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 82081647
4-methyl-5-(2-methylpropyl)-1H-pyrazole
CID 3805989
5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine
CID 82113707
5-(5-methylfuran-3-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 114821088
2-methyl-3-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 62223948
2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine
CID 95474593
5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63210575
azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 87855847
3-propan-2-yl-2-propyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 62220297
6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62202121
5-(cyclobutylmethyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 103164012
3-methyl-5-(2-methylpropyl)aniline
CID 107579541

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine (CID 82089342) is 5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine is Cc1cc(C)c(-c2c(N)n[nH]c2CC(C)C)c(C)c1.
What is the InChIKey of 5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
The InChIKey is DXUMDIHZYNBQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-9(2)6-13-15(16(17)19-18-13)14-11(4)7-10(3)8-12(14)5/h7-9H,6H2,1-5H3,(H3,17,18,19).
What are the key properties of 5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine has a molecular weight of 257.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82089342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).