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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Related Compounds

4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056349
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol
CID 115056385
4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine
CID 115056392
[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
CID 117123535
5-butyl-4-methyl-2-(2-methylphenyl)pyrazol-3-amine
CID 142904045
5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 102795550
5-amino-1-(2-methylphenyl)triazole-4-carboxylic acid
CID 82285356
5-methyl-2-(2-methylphenyl)triazol-4-amine
CID 97058283
[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198294
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
3-amino-6-hydroxy-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136652207

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).