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

C12H17N5O — CID 115056392

IUPAC4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine
SMILESCOc1ccccc1-n1nc(N)c(CCN)c1N
InChIInChI=1S/C12H17N5O/c1-18-10-5-3-2-4-9(10)17-12(15)8(6-7-13)11(14)16-17/h2-5H,6-7,13,15H2,1H3,(H2,14,16)
InChIKeyGQAQYUCNKDUKBW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.55
Rot. Bonds4

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

4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine (PubChem CID 115056392) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine
PubChem CID115056392
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine
SMILESCOc1ccccc1-n1nc(N)c(CCN)c1N
InChIInChI=1S/C12H17N5O/c1-18-10-5-3-2-4-9(10)17-12(15)8(6-7-13)11(14)16-17/h2-5H,6-7,13,15H2,1H3,(H2,14,16)
InChIKeyGQAQYUCNKDUKBW-UHFFFAOYSA-N
XLogP0.55
TPSA105.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine
CID 63035065
4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056348
2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83821894
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
[1-(2-methoxyphenyl)imidazol-4-yl]methanamine
CID 82469793
2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine
CID 83894917
4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353799
2-[1-(2-bromophenyl)-5-methoxy-3-methylpyrazol-4-yl]ethanamine
CID 117123584
5-chloro-4-(chloromethyl)-1-(2-methoxyphenyl)-3-methylpyrazole
CID 63033333
5-ethyl-1-(2-methoxyphenyl)tetrazole
CID 23117976

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine?
The IUPAC name of 4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine (CID 115056392) is 4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine.
What is the SMILES notation for 4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine?
The canonical SMILES for 4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine is COc1ccccc1-n1nc(N)c(CCN)c1N.
What is the InChIKey of 4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine?
The InChIKey is GQAQYUCNKDUKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-18-10-5-3-2-4-9(10)17-12(15)8(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-methoxyphenyl)pyrazole-3,5-diamine?
4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine has a molecular weight of 247.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine is sourced from PubChem (CID 115056392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).