3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine

C14H19N3O — CID 82118332

IUPAC3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCOc1ccc(-c2n[nH]c(C)c2N)cc1C(C)C
InChIInChI=1S/C14H19N3O/c1-8(2)11-7-10(5-6-12(11)18-4)14-13(15)9(3)16-17-14/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyCNPKGPFLJUDSMP-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.10
Rot. Bonds3

About 3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine

3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine (PubChem CID 82118332) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
PubChem CID82118332
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCOc1ccc(-c2n[nH]c(C)c2N)cc1C(C)C
InChIInChI=1S/C14H19N3O/c1-8(2)11-7-10(5-6-12(11)18-4)14-13(15)9(3)16-17-14/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyCNPKGPFLJUDSMP-UHFFFAOYSA-N
XLogP3.10
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
[4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine
CID 84605964
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
2-[4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475739
4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 94282421
4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 22905823
3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82479888
[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605935
5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
CID 82479094
3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 116826861
5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
CID 82118050

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine?
The IUPAC name of 3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine (CID 82118332) is 3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine is COc1ccc(-c2n[nH]c(C)c2N)cc1C(C)C.
What is the InChIKey of 3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine?
The InChIKey is CNPKGPFLJUDSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-8(2)11-7-10(5-6-12(11)18-4)14-13(15)9(3)16-17-14/h5-8H,15H2,1-4H3,(H,16,17).
What are the key properties of 3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine?
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 82118332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).