3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine

C14H19N3O — CID 84617695

IUPAC3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine
SMILESCc1nn(-c2ccc(OCC(C)C)cc2)cc1N
InChIInChI=1S/C14H19N3O/c1-10(2)9-18-13-6-4-12(5-7-13)17-8-14(15)11(3)16-17/h4-8,10H,9,15H2,1-3H3
InChIKeyZNVMWCGVNSZYQJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.80
Rot. Bonds4

About 3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine

3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine (PubChem CID 84617695) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine
PubChem CID84617695
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine
SMILESCc1nn(-c2ccc(OCC(C)C)cc2)cc1N
InChIInChI=1S/C14H19N3O/c1-10(2)9-18-13-6-4-12(5-7-13)17-8-14(15)11(3)16-17/h4-8,10H,9,15H2,1-3H3
InChIKeyZNVMWCGVNSZYQJ-UHFFFAOYSA-N
XLogP2.80
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3-methylpyrazol-1-yl)benzenethiol
CID 143874116
1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine
CID 84617686
[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine
CID 82199923
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727
N-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 740208
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
4-(4-methoxyphenyl)-3-[4-(2-methylpropoxy)phenyl]-1H-1,2,4-triazole-5-thione
CID 156612654
1-(3-fluorophenyl)-3-methylpyrazol-4-amine
CID 83222800
4-(2-methylpropoxy)aniline;oxalic acid
CID 70702357
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylamino]propanoic acid
CID 120913301
2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine
CID 82199937

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine?
The IUPAC name of 3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine (CID 84617695) is 3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine is Cc1nn(-c2ccc(OCC(C)C)cc2)cc1N.
What is the InChIKey of 3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine?
The InChIKey is ZNVMWCGVNSZYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)9-18-13-6-4-12(5-7-13)17-8-14(15)11(3)16-17/h4-8,10H,9,15H2,1-3H3.
What are the key properties of 3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine?
3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(2-methylpropoxy)phenyl]pyrazol-4-amine is sourced from PubChem (CID 84617695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).