1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine

C13H17N3 — CID 117307113

IUPAC1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
SMILESCC(C)c1ccccc1-c1cnn(C)c1N
InChIInChI=1S/C13H17N3/c1-9(2)10-6-4-5-7-11(10)12-8-15-16(3)13(12)14/h4-9H,14H2,1-3H3
InChIKeyIJODKKWEIGGQEF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.79
Rot. Bonds2

About 1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine

1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine (PubChem CID 117307113) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
PubChem CID117307113
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
SMILESCC(C)c1ccccc1-c1cnn(C)c1N
InChIInChI=1S/C13H17N3/c1-9(2)10-6-4-5-7-11(10)12-8-15-16(3)13(12)14/h4-9H,14H2,1-3H3
InChIKeyIJODKKWEIGGQEF-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,5-di(propan-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117397196
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
4-[2-(1,2-dimethoxyethyl)phenyl]-1-methylpyrazol-5-amine
CID 117407761
4-(5-ethyl-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117360841
2-(5-amino-1-methylpyrazol-4-yl)-3,6-di(propan-2-yl)phenol
CID 117436539
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
1-methyl-4-[2-(4-methylpiperazin-1-yl)phenyl]pyrazol-5-amine
CID 117431613
4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319241
4-[2-(difluoromethyl)phenyl]-1,5-dimethylpyrazole
CID 145090352
4-(2,3-dimethoxy-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117440661

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine (CID 117307113) is 1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine is CC(C)c1ccccc1-c1cnn(C)c1N.
What is the InChIKey of 1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine?
The InChIKey is IJODKKWEIGGQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)10-6-4-5-7-11(10)12-8-15-16(3)13(12)14/h4-9H,14H2,1-3H3.
What are the key properties of 1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine?
1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine has a molecular weight of 215.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine is sourced from PubChem (CID 117307113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).