2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride

C12H10ClN3O — CID 20659937

IUPAC2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride
SMILESCc1cc2n(n1)-c1ccccc1CN2C(=O)Cl
InChIInChI=1S/C12H10ClN3O/c1-8-6-11-15(12(13)17)7-9-4-2-3-5-10(9)16(11)14-8/h2-6H,7H2,1H3
InChIKeyQGFRGIQCASVHJQ-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.86
Rot. Bonds

About 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride

2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride (PubChem CID 20659937) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride
PubChem CID20659937
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride
SMILESCc1cc2n(n1)-c1ccccc1CN2C(=O)Cl
InChIInChI=1S/C12H10ClN3O/c1-8-6-11-15(12(13)17)7-9-4-2-3-5-10(9)16(11)14-8/h2-6H,7H2,1H3
InChIKeyQGFRGIQCASVHJQ-UHFFFAOYSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride 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

6H-phenanthridine-5-carbonyl chloride
CID 86183224
2-tert-butyl-N-(2,3-dihydro-1H-inden-1-yl)-5H-pyrazolo[1,5-a]quinazoline-4-carboxamide
CID 54027872
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
1-[4-amino-2-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4,5-dihydroimidazol-1-yl]ethanone
CID 70592031
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 51237135
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
2-(2-chlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 97058359
9H-acridine-10-carbonyl chloride
CID 165358723
1-(2,3-dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 24790998
3-chloro-11-oxo-6H-benzo[b][1,4]benzothiazepine-5-carbonyl chloride
CID 15341021
2-chloro-1-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)ethanone
CID 125472514
1-(5-methyl-2-phenylpyrazol-3-yl)-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 66770611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride?
The IUPAC name of 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride (CID 20659937) is 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride.
What is the SMILES notation for 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride?
The canonical SMILES for 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride is Cc1cc2n(n1)-c1ccccc1CN2C(=O)Cl.
What is the InChIKey of 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride?
The InChIKey is QGFRGIQCASVHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-6-11-15(12(13)17)7-9-4-2-3-5-10(9)16(11)14-8/h2-6H,7H2,1H3.
What are the key properties of 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride?
2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride has a molecular weight of 247.69 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride is sourced from PubChem (CID 20659937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).