5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine

C14H19N3O2 — CID 63047445

IUPAC5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2cc(OC)ccc2OC)[nH]n1
InChIInChI=1S/C14H19N3O2/c1-4-7-15-14-9-12(16-17-14)11-8-10(18-2)5-6-13(11)19-3/h5-6,8-9H,4,7H2,1-3H3,(H2,15,16,17)
InChIKeyPVKQWYKJHCHIFQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.92
Rot. Bonds6

About 5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine

5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine (PubChem CID 63047445) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine
PubChem CID63047445
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1cc(-c2cc(OC)ccc2OC)[nH]n1
InChIInChI=1S/C14H19N3O2/c1-4-7-15-14-9-12(16-17-14)11-8-10(18-2)5-6-13(11)19-3/h5-6,8-9H,4,7H2,1-3H3,(H2,15,16,17)
InChIKeyPVKQWYKJHCHIFQ-UHFFFAOYSA-N
XLogP2.92
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine (CID 63047445) is 5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine is CCCNc1cc(-c2cc(OC)ccc2OC)[nH]n1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine?
The InChIKey is PVKQWYKJHCHIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-7-15-14-9-12(16-17-14)11-8-10(18-2)5-6-13(11)19-3/h5-6,8-9H,4,7H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine?
5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine has a molecular weight of 261.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63047445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).