4-(4-methylphenyl)-1H-pyrrole-2,3-diamine

C11H13N3 — CID 143432324

IUPAC4-(4-methylphenyl)-1H-pyrrole-2,3-diamine
SMILESCc1ccc(-c2c[nH]c(N)c2N)cc1
InChIInChI=1S/C11H13N3/c1-7-2-4-8(5-3-7)9-6-14-11(13)10(9)12/h2-6,14H,12-13H2,1H3
InChIKeyIKUGCSRIGIAEMQ-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.15
Rot. Bonds1

About 4-(4-methylphenyl)-1H-pyrrole-2,3-diamine

4-(4-methylphenyl)-1H-pyrrole-2,3-diamine (PubChem CID 143432324) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1H-pyrrole-2,3-diamine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1H-pyrrole-2,3-diamine
PubChem CID143432324
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-(4-methylphenyl)-1H-pyrrole-2,3-diamine
SMILESCc1ccc(-c2c[nH]c(N)c2N)cc1
InChIInChI=1S/C11H13N3/c1-7-2-4-8(5-3-7)9-6-14-11(13)10(9)12/h2-6,14H,12-13H2,1H3
InChIKeyIKUGCSRIGIAEMQ-UHFFFAOYSA-N
XLogP2.15
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1H-pyrrole-2,3-diamine?
The IUPAC name of 4-(4-methylphenyl)-1H-pyrrole-2,3-diamine (CID 143432324) is 4-(4-methylphenyl)-1H-pyrrole-2,3-diamine.
What is the SMILES notation for 4-(4-methylphenyl)-1H-pyrrole-2,3-diamine?
The canonical SMILES for 4-(4-methylphenyl)-1H-pyrrole-2,3-diamine is Cc1ccc(-c2c[nH]c(N)c2N)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1H-pyrrole-2,3-diamine?
The InChIKey is IKUGCSRIGIAEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-2-4-8(5-3-7)9-6-14-11(13)10(9)12/h2-6,14H,12-13H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1H-pyrrole-2,3-diamine?
4-(4-methylphenyl)-1H-pyrrole-2,3-diamine has a molecular weight of 187.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1H-pyrrole-2,3-diamine is sourced from PubChem (CID 143432324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).