5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde

C16H21N3O2 — CID 82360682

IUPAC5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde
SMILESCCCCCn1nc(-c2ccccc2OC)c(C=O)c1N
InChIInChI=1S/C16H21N3O2/c1-3-4-7-10-19-16(17)13(11-20)15(18-19)12-8-5-6-9-14(12)21-2/h5-6,8-9,11H,3-4,7,10,17H2,1-2H3
InChIKeyOWRQCCBLUKQXJK-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.14
Rot. Bonds7

About 5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde

5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde (PubChem CID 82360682) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde
PubChem CID82360682
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde
SMILESCCCCCn1nc(-c2ccccc2OC)c(C=O)c1N
InChIInChI=1S/C16H21N3O2/c1-3-4-7-10-19-16(17)13(11-20)15(18-19)12-8-5-6-9-14(12)21-2/h5-6,8-9,11H,3-4,7,10,17H2,1-2H3
InChIKeyOWRQCCBLUKQXJK-UHFFFAOYSA-N
XLogP3.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
CID 82360872
5-amino-1-butyl-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 82360768
5-amino-3-(4-fluoro-3-methylphenyl)-1-pentylpyrazole-4-carbaldehyde
CID 82360840
5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226
5-amino-1-(3-hydroxypropyl)-3-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 82360596
5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile
CID 100763543
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122
5-amino-3-(4-ethoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 82360546
2-ethyl-5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62224543
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734
5-chloro-3-(2,3-dimethoxyphenyl)-1-methylpyrazole-4-carbaldehyde
CID 87406312

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde?
The IUPAC name of 5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde (CID 82360682) is 5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde is CCCCCn1nc(-c2ccccc2OC)c(C=O)c1N.
What is the InChIKey of 5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde?
The InChIKey is OWRQCCBLUKQXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-4-7-10-19-16(17)13(11-20)15(18-19)12-8-5-6-9-14(12)21-2/h5-6,8-9,11H,3-4,7,10,17H2,1-2H3.
What are the key properties of 5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde?
5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde has a molecular weight of 287.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde is sourced from PubChem (CID 82360682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).