1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine

C15H20N4O — CID 82171705

IUPAC1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine
SMILESCc1ccccc1-n1ncc(CN2CCOCC2)c1N
InChIInChI=1S/C15H20N4O/c1-12-4-2-3-5-14(12)19-15(16)13(10-17-19)11-18-6-8-20-9-7-18/h2-5,10H,6-9,11,16H2,1H3
InChIKeyWWQGDNKDNGYXBI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.60
Rot. Bonds3

About 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine

1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine (PubChem CID 82171705) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine
PubChem CID82171705
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine
SMILESCc1ccccc1-n1ncc(CN2CCOCC2)c1N
InChIInChI=1S/C15H20N4O/c1-12-4-2-3-5-14(12)19-15(16)13(10-17-19)11-18-6-8-20-9-7-18/h2-5,10H,6-9,11,16H2,1H3
InChIKeyWWQGDNKDNGYXBI-UHFFFAOYSA-N
XLogP1.60
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine?
The IUPAC name of 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine (CID 82171705) is 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine is Cc1ccccc1-n1ncc(CN2CCOCC2)c1N.
What is the InChIKey of 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine?
The InChIKey is WWQGDNKDNGYXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-4-2-3-5-14(12)19-15(16)13(10-17-19)11-18-6-8-20-9-7-18/h2-5,10H,6-9,11,16H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine?
1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine has a molecular weight of 272.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 82171705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).