4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine

C12H17N5 — CID 115056349

IUPAC4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
SMILESCc1ccccc1-n1nc(N)c(CCN)c1N
InChIInChI=1S/C12H17N5/c1-8-4-2-3-5-10(8)17-12(15)9(6-7-13)11(14)16-17/h2-5H,6-7,13,15H2,1H3,(H2,14,16)
InChIKeyRZVGGFWQCDNLGO-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.85
Rot. Bonds3

About 4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine

4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine (PubChem CID 115056349) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
PubChem CID115056349
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
SMILESCc1ccccc1-n1nc(N)c(CCN)c1N
InChIInChI=1S/C12H17N5/c1-8-4-2-3-5-10(8)17-12(15)9(6-7-13)11(14)16-17/h2-5H,6-7,13,15H2,1H3,(H2,14,16)
InChIKeyRZVGGFWQCDNLGO-UHFFFAOYSA-N
XLogP0.85
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine?
The IUPAC name of 4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine (CID 115056349) is 4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine.
What is the SMILES notation for 4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine?
The canonical SMILES for 4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine is Cc1ccccc1-n1nc(N)c(CCN)c1N.
What is the InChIKey of 4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine?
The InChIKey is RZVGGFWQCDNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-4-2-3-5-10(8)17-12(15)9(6-7-13)11(14)16-17/h2-5H,6-7,13,15H2,1H3,(H2,14,16).
What are the key properties of 4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine?
4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine has a molecular weight of 231.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine is sourced from PubChem (CID 115056349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).