4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine

C13H17N3O2 — CID 5200270

IUPAC4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine
SMILESCCOc1ccc(-c2cn[nH]c2N)cc1OCC
InChIInChI=1S/C13H17N3O2/c1-3-17-11-6-5-9(7-12(11)18-4-2)10-8-15-16-13(10)14/h5-8H,3-4H2,1-2H3,(H3,14,15,16)
InChIKeyIKBPNRDKUUNIAV-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.46
Rot. Bonds5

About 4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine

4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 5200270) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine
PubChem CID5200270
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine
SMILESCCOc1ccc(-c2cn[nH]c2N)cc1OCC
InChIInChI=1S/C13H17N3O2/c1-3-17-11-6-5-9(7-12(11)18-4-2)10-8-15-16-13(10)14/h5-8H,3-4H2,1-2H3,(H3,14,15,16)
InChIKeyIKBPNRDKUUNIAV-UHFFFAOYSA-N
XLogP2.46
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine (CID 5200270) is 4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine is CCOc1ccc(-c2cn[nH]c2N)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is IKBPNRDKUUNIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-17-11-6-5-9(7-12(11)18-4-2)10-8-15-16-13(10)14/h5-8H,3-4H2,1-2H3,(H3,14,15,16).
What are the key properties of 4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine?
4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 5200270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).