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

C11H15N5 — CID 115056348

IUPAC4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
SMILESCc1ccccc1-n1nc(N)c(CN)c1N
InChIInChI=1S/C11H15N5/c1-7-4-2-3-5-9(7)16-11(14)8(6-12)10(13)15-16/h2-5H,6,12,14H2,1H3,(H2,13,15)
InChIKeyJRIADJUOQCBSFV-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.80
Rot. Bonds2

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

4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine (PubChem CID 115056348) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
PubChem CID115056348
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
SMILESCc1ccccc1-n1nc(N)c(CN)c1N
InChIInChI=1S/C11H15N5/c1-7-4-2-3-5-9(7)16-11(14)8(6-12)10(13)15-16/h2-5H,6,12,14H2,1H3,(H2,13,15)
InChIKeyJRIADJUOQCBSFV-UHFFFAOYSA-N
XLogP0.80
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine?
The IUPAC name of 4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine (CID 115056348) is 4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine.
What is the SMILES notation for 4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine?
The canonical SMILES for 4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine is Cc1ccccc1-n1nc(N)c(CN)c1N.
What is the InChIKey of 4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine?
The InChIKey is JRIADJUOQCBSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-4-2-3-5-9(7)16-11(14)8(6-12)10(13)15-16/h2-5H,6,12,14H2,1H3,(H2,13,15).
What are the key properties of 4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine?
4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine has a molecular weight of 217.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine is sourced from PubChem (CID 115056348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).