2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide

C14H12ClN5O — CID 100802493

IUPAC2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide
SMILESCc1c(C(=O)NN)cnc2cc(-c3ccccc3Cl)nn12
InChIInChI=1S/C14H12ClN5O/c1-8-10(14(21)18-16)7-17-13-6-12(19-20(8)13)9-4-2-3-5-11(9)15/h2-7H,16H2,1H3,(H,18,21)
InChIKeyXXKPXCGWTCHLKI-UHFFFAOYSA-N
MW301.74 g/mol
LogP1.96
Rot. Bonds2

About 2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide

2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide (PubChem CID 100802493) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide
PubChem CID100802493
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide
SMILESCc1c(C(=O)NN)cnc2cc(-c3ccccc3Cl)nn12
InChIInChI=1S/C14H12ClN5O/c1-8-10(14(21)18-16)7-17-13-6-12(19-20(8)13)9-4-2-3-5-11(9)15/h2-7H,16H2,1H3,(H,18,21)
InChIKeyXXKPXCGWTCHLKI-UHFFFAOYSA-N
XLogP1.96
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
N-cyclohexyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811833
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688
2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24655628
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371064
2-tert-butyl-7-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811830
N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42659791
N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270620
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide?
The IUPAC name of 2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide (CID 100802493) is 2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide.
What is the SMILES notation for 2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide?
The canonical SMILES for 2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide is Cc1c(C(=O)NN)cnc2cc(-c3ccccc3Cl)nn12.
What is the InChIKey of 2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide?
The InChIKey is XXKPXCGWTCHLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-8-10(14(21)18-16)7-17-13-6-12(19-20(8)13)9-4-2-3-5-11(9)15/h2-7H,16H2,1H3,(H,18,21).
What are the key properties of 2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide?
2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide has a molecular weight of 301.74 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 100802493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).