4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine

C11H14N4 — CID 62911967

IUPAC4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
SMILESCc1ccc(NCc2ccn[nH]2)cc1N
InChIInChI=1S/C11H14N4/c1-8-2-3-9(6-11(8)12)13-7-10-4-5-14-15-10/h2-6,13H,7,12H2,1H3,(H,14,15)
InChIKeySUVMYHQZZTWCCM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.91
Rot. Bonds3

About 4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine

4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine (PubChem CID 62911967) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
PubChem CID62911967
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
SMILESCc1ccc(NCc2ccn[nH]2)cc1N
InChIInChI=1S/C11H14N4/c1-8-2-3-9(6-11(8)12)13-7-10-4-5-14-15-10/h2-6,13H,7,12H2,1H3,(H,14,15)
InChIKeySUVMYHQZZTWCCM-UHFFFAOYSA-N
XLogP1.91
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43717561
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662346
5-N-(1H-pyrazol-5-ylmethyl)pyridine-2,5-diamine
CID 61284873
3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 79054690
5-fluoro-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 61285074
3-chloro-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662509
3-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662434
3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline;hydrochloride
CID 171316039
5-ethoxy-3-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine
CID 80730449
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
CID 54865163
N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide
CID 54862737
3-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43662319

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine (CID 62911967) is 4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine is Cc1ccc(NCc2ccn[nH]2)cc1N.
What is the InChIKey of 4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine?
The InChIKey is SUVMYHQZZTWCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-2-3-9(6-11(8)12)13-7-10-4-5-14-15-10/h2-6,13H,7,12H2,1H3,(H,14,15).
What are the key properties of 4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine?
4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine has a molecular weight of 202.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(1H-pyrazol-5-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 62911967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).