5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine

C13H17N3O — CID 86688016

IUPAC5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCCOCc1[nH]nc(N)c1-c1ccc(C)cc1
InChIInChI=1S/C13H17N3O/c1-3-17-8-11-12(13(14)16-15-11)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H3,14,15,16)
InChIKeyUDNRLRYXFKKPLW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.50
Rot. Bonds4

About 5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine

5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 86688016) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
PubChem CID86688016
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
SMILESCCOCc1[nH]nc(N)c1-c1ccc(C)cc1
InChIInChI=1S/C13H17N3O/c1-3-17-8-11-12(13(14)16-15-11)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H3,14,15,16)
InChIKeyUDNRLRYXFKKPLW-UHFFFAOYSA-N
XLogP2.50
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine (CID 86688016) is 5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine is CCOCc1[nH]nc(N)c1-c1ccc(C)cc1.
What is the InChIKey of 5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is UDNRLRYXFKKPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-8-11-12(13(14)16-15-11)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine?
5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 86688016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).