N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine

C13H18N4 — CID 117210259

IUPACN'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2c(NCCN)cnn2C)cc1
InChIInChI=1S/C13H18N4/c1-10-3-5-11(6-4-10)13-12(15-8-7-14)9-16-17(13)2/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyKKSGQAFNVIJOPQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.77
Rot. Bonds4

About N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine

N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117210259) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
PubChem CID117210259
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2c(NCCN)cnn2C)cc1
InChIInChI=1S/C13H18N4/c1-10-3-5-11(6-4-10)13-12(15-8-7-14)9-16-17(13)2/h3-6,9,15H,7-8,14H2,1-2H3
InChIKeyKKSGQAFNVIJOPQ-UHFFFAOYSA-N
XLogP1.77
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine (CID 117210259) is N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine is Cc1ccc(-c2c(NCCN)cnn2C)cc1.
What is the InChIKey of N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is KKSGQAFNVIJOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-3-5-11(6-4-10)13-12(15-8-7-14)9-16-17(13)2/h3-6,9,15H,7-8,14H2,1-2H3.
What are the key properties of N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine?
N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117210259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).