3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine

C14H19N3 — CID 39247651

IUPAC3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine
SMILESCc1nn(-c2ccc(C(C)C)cc2)c(C)c1N
InChIInChI=1S/C14H19N3/c1-9(2)12-5-7-13(8-6-12)17-11(4)14(15)10(3)16-17/h5-9H,15H2,1-4H3
InChIKeyDZHOYYHAEQSCPI-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.19
Rot. Bonds2

About 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine

3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine (PubChem CID 39247651) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine
PubChem CID39247651
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine
SMILESCc1nn(-c2ccc(C(C)C)cc2)c(C)c1N
InChIInChI=1S/C14H19N3/c1-9(2)12-5-7-13(8-6-12)17-11(4)14(15)10(3)16-17/h5-9H,15H2,1-4H3
InChIKeyDZHOYYHAEQSCPI-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole
CID 166116933
1-(4-bromophenyl)-3,5-dimethylpyrazol-4-amine
CID 39365314
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile
CID 82044392
propan-2-yl 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzoate
CID 50889004
(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 78937591
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 62130370
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 62128723
(1R)-1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 63369059
1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
CID 39349758
1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 82092796
3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-amine
CID 115375116

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine (CID 39247651) is 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine is Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine?
The InChIKey is DZHOYYHAEQSCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9(2)12-5-7-13(8-6-12)17-11(4)14(15)10(3)16-17/h5-9H,15H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine?
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine has a molecular weight of 229.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine is sourced from PubChem (CID 39247651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).