3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine

C15H21N3O — CID 43336628

IUPAC3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine
SMILESCCCCOc1ccc(-c2nn(C)c(N)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-4-5-10-19-13-8-6-12(7-9-13)14-11(2)15(16)18(3)17-14/h6-9H,4-5,10,16H2,1-3H3
InChIKeyVKKCHFUPGUTCCZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.16
Rot. Bonds5

About 3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine

3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine (PubChem CID 43336628) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine
PubChem CID43336628
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine
SMILESCCCCOc1ccc(-c2nn(C)c(N)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-4-5-10-19-13-8-6-12(7-9-13)14-11(2)15(16)18(3)17-14/h6-9H,4-5,10,16H2,1-3H3
InChIKeyVKKCHFUPGUTCCZ-UHFFFAOYSA-N
XLogP3.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine
CID 62495773
5-amino-N,1-dimethyl-3-(4-propoxyphenyl)pyrazole-4-carboxamide
CID 144571675
1-ethyl-3-(4-propoxyphenyl)pyrazol-4-amine
CID 83216682
1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
CID 79404540
5-(4-ethoxyphenyl)-3-methylimidazol-4-amine
CID 62018469
3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 43158798
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine
CID 55047732
4-(4-butoxyphenyl)-1,3-oxazol-2-amine
CID 95448867
2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine
CID 62495772

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine (CID 43336628) is 3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine is CCCCOc1ccc(-c2nn(C)c(N)c2C)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine?
The InChIKey is VKKCHFUPGUTCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-5-10-19-13-8-6-12(7-9-13)14-11(2)15(16)18(3)17-14/h6-9H,4-5,10,16H2,1-3H3.
What are the key properties of 3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine?
3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 43336628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).