2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine

C11H14N4 — CID 79770283

IUPAC2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1cnn(C)c1
InChIInChI=1S/C11H14N4/c1-8-5-9(12)3-4-11(8)14-10-6-13-15(2)7-10/h3-7,14H,12H2,1-2H3
InChIKeyKYFPYCPMFMQVKU-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.05
Rot. Bonds2

About 2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine

2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine (PubChem CID 79770283) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
PubChem CID79770283
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1cnn(C)c1
InChIInChI=1S/C11H14N4/c1-8-5-9(12)3-4-11(8)14-10-6-13-15(2)7-10/h3-7,14H,12H2,1-2H3
InChIKeyKYFPYCPMFMQVKU-UHFFFAOYSA-N
XLogP2.05
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine (CID 79770283) is 2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine is Cc1cc(N)ccc1Nc1cnn(C)c1.
What is the InChIKey of 2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine?
The InChIKey is KYFPYCPMFMQVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-5-9(12)3-4-11(8)14-10-6-13-15(2)7-10/h3-7,14H,12H2,1-2H3.
What are the key properties of 2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine?
2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine has a molecular weight of 202.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 79770283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).