4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine

C17H25N3O — CID 43336687

IUPAC4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
SMILESCCCC(C)c1nn(C)c(N)c1-c1ccc(OCC)cc1
InChIInChI=1S/C17H25N3O/c1-5-7-12(3)16-15(17(18)20(4)19-16)13-8-10-14(11-9-13)21-6-2/h8-12H,5-7,18H2,1-4H3
InChIKeyDLDXWNLRABUKRR-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.97
Rot. Bonds6

About 4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine

4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine (PubChem CID 43336687) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
PubChem CID43336687
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
SMILESCCCC(C)c1nn(C)c(N)c1-c1ccc(OCC)cc1
InChIInChI=1S/C17H25N3O/c1-5-7-12(3)16-15(17(18)20(4)19-16)13-8-10-14(11-9-13)21-6-2/h8-12H,5-7,18H2,1-4H3
InChIKeyDLDXWNLRABUKRR-UHFFFAOYSA-N
XLogP3.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-propan-2-yl-4-(4-propan-2-ylphenyl)pyrazol-5-amine
CID 43336712
5-(4-ethoxyphenyl)-3-methylimidazol-4-amine
CID 62018469
3-(4-ethoxyphenyl)-1-propan-2-ylpyrazol-4-amine
CID 83222885
6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 7660164
3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine
CID 43336628
3-hexan-2-yl-1,4-dimethylpyrazol-5-amine
CID 165492413
5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 82360546
1-methyl-4-(4-methylphenyl)-3-(2-phenoxyethoxy)pyrazol-5-amine
CID 22282024
5-(4-ethoxyphenyl)-2,3-dipropylimidazol-4-amine
CID 62219228
4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82300036
6-(4-ethoxyphenyl)pyridin-3-amine
CID 79018845
4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66199638

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine (CID 43336687) is 4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine is CCCC(C)c1nn(C)c(N)c1-c1ccc(OCC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine?
The InChIKey is DLDXWNLRABUKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-7-12(3)16-15(17(18)20(4)19-16)13-8-10-14(11-9-13)21-6-2/h8-12H,5-7,18H2,1-4H3.
What are the key properties of 4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine?
4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine has a molecular weight of 287.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine is sourced from PubChem (CID 43336687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).