2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline

C15H18ClN5 — CID 106760346

IUPAC2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline
SMILESCc1nn(C)c2c1nc(CCl)n2-c1ccccc1N(C)C
InChIInChI=1S/C15H18ClN5/c1-10-14-15(20(4)18-10)21(13(9-16)17-14)12-8-6-5-7-11(12)19(2)3/h5-8H,9H2,1-4H3
InChIKeyYBGTXIOALVLHKP-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.87
Rot. Bonds3

About 2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline

2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline (PubChem CID 106760346) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline
PubChem CID106760346
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline
SMILESCc1nn(C)c2c1nc(CCl)n2-c1ccccc1N(C)C
InChIInChI=1S/C15H18ClN5/c1-10-14-15(20(4)18-10)21(13(9-16)17-14)12-8-6-5-7-11(12)19(2)3/h5-8H,9H2,1-4H3
InChIKeyYBGTXIOALVLHKP-UHFFFAOYSA-N
XLogP2.87
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297311
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-6-methylbenzonitrile
CID 107799719
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
CID 106760332
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-6-fluorobenzonitrile
CID 79277087
5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297169
5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297324
6-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297526
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline
CID 106760326
5-(chloromethyl)-1,3-dimethyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazole
CID 79276393
5-(chloromethyl)-6-(3,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297663
5-(chloromethyl)-1,3-dimethyl-6-(4-propylphenyl)imidazo[4,5-d]pyrazole
CID 79276536
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-5-fluorobenzonitrile
CID 82683636

Frequently Asked Questions

What is the IUPAC name of 2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline?
The IUPAC name of 2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline (CID 106760346) is 2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline?
The canonical SMILES for 2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline is Cc1nn(C)c2c1nc(CCl)n2-c1ccccc1N(C)C.
What is the InChIKey of 2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline?
The InChIKey is YBGTXIOALVLHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-10-14-15(20(4)18-10)21(13(9-16)17-14)12-8-6-5-7-11(12)19(2)3/h5-8H,9H2,1-4H3.
What are the key properties of 2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline?
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline has a molecular weight of 303.80 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline is sourced from PubChem (CID 106760346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).