(1,3-dimethylpyrazol-4-yl)methylcyanamide

C7H10N4 — CID 112669054

IUPAC(1,3-dimethylpyrazol-4-yl)methylcyanamide
SMILESCc1nn(C)cc1CNC#N
InChIInChI=1S/C7H10N4/c1-6-7(3-9-5-8)4-11(2)10-6/h4,9H,3H2,1-2H3
InChIKeyGDFFWODOBWKXCB-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.30
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)methylcyanamide

(1,3-dimethylpyrazol-4-yl)methylcyanamide (PubChem CID 112669054) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)methylcyanamide.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)methylcyanamide
PubChem CID112669054
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name(1,3-dimethylpyrazol-4-yl)methylcyanamide
SMILESCc1nn(C)cc1CNC#N
InChIInChI=1S/C7H10N4/c1-6-7(3-9-5-8)4-11(2)10-6/h4,9H,3H2,1-2H3
InChIKeyGDFFWODOBWKXCB-UHFFFAOYSA-N
XLogP0.30
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze (1,3-dimethylpyrazol-4-yl)methylcyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanenitrile
CID 83085525
N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 112669044
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
3-chloro-4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 102664980
4-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115990135
3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-fluorobenzonitrile
CID 112705360
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-fluorobenzonitrile
CID 83089078
2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide
CID 115990104

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)methylcyanamide?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)methylcyanamide (CID 112669054) is (1,3-dimethylpyrazol-4-yl)methylcyanamide.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)methylcyanamide?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)methylcyanamide is Cc1nn(C)cc1CNC#N.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)methylcyanamide?
The InChIKey is GDFFWODOBWKXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-6-7(3-9-5-8)4-11(2)10-6/h4,9H,3H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)methylcyanamide?
(1,3-dimethylpyrazol-4-yl)methylcyanamide has a molecular weight of 150.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)methylcyanamide is sourced from PubChem (CID 112669054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).