4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine

C11H14N4 — CID 82882084

IUPAC4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
SMILESCn1ccc(CNc2ccc(N)cc2)n1
InChIInChI=1S/C11H14N4/c1-15-7-6-11(14-15)8-13-10-4-2-9(12)3-5-10/h2-7,13H,8,12H2,1H3
InChIKeyVGXJLKVXSAKLQE-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.61
Rot. Bonds3

About 4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine

4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine (PubChem CID 82882084) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
PubChem CID82882084
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
SMILESCn1ccc(CNc2ccc(N)cc2)n1
InChIInChI=1S/C11H14N4/c1-15-7-6-11(14-15)8-13-10-4-2-9(12)3-5-10/h2-7,13H,8,12H2,1H3
InChIKeyVGXJLKVXSAKLQE-UHFFFAOYSA-N
XLogP1.61
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882547
4-bromo-3,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 103579685
2-methyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenecarbothioamide
CID 82873759
3-N,3-N,4-trimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,3-diamine
CID 82865842
6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 104925117
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 115748880
1-(4-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 115913896
N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 82873492
2-chloro-4-[(1-methylpyrazol-3-yl)methylamino]benzonitrile
CID 82865972
N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103818834
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364929

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine (CID 82882084) is 4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine is Cn1ccc(CNc2ccc(N)cc2)n1.
What is the InChIKey of 4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine?
The InChIKey is VGXJLKVXSAKLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-7-6-11(14-15)8-13-10-4-2-9(12)3-5-10/h2-7,13H,8,12H2,1H3.
What are the key properties of 4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine?
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine has a molecular weight of 202.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 82882084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).