(2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate

C14H11ClN4O2 — CID 154326690

IUPAC(2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCc1ccc(NOC(=O)c2cnc3ccnn3c2)c(Cl)c1
InChIInChI=1S/C14H11ClN4O2/c1-9-2-3-12(11(15)6-9)18-21-14(20)10-7-16-13-4-5-17-19(13)8-10/h2-8,18H,1H3
InChIKeyBEFLDRUFUGMRQA-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.88
Rot. Bonds3

About (2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate

(2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 154326690) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is (2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID154326690
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name(2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCc1ccc(NOC(=O)c2cnc3ccnn3c2)c(Cl)c1
InChIInChI=1S/C14H11ClN4O2/c1-9-2-3-12(11(15)6-9)18-21-14(20)10-7-16-13-4-5-17-19(13)8-10/h2-8,18H,1H3
InChIKeyBEFLDRUFUGMRQA-UHFFFAOYSA-N
XLogP2.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 71178929
N-(2-chloro-4-methylphenyl)-6-ethoxypyridine-3-carboxamide
CID 46488346
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987
N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 143496573
N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 35374886
methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464931
1-(4-bromophenyl)-N-(2-chloro-4-methylphenyl)pyrazole-4-carboxamide
CID 50772769
N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355707
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
methyl 2-amino-3-(2-chloro-4-methylanilino)benzoate
CID 115544660
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866788

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of (2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 154326690) is (2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for (2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for (2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate is Cc1ccc(NOC(=O)c2cnc3ccnn3c2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is BEFLDRUFUGMRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-9-2-3-12(11(15)6-9)18-21-14(20)10-7-16-13-4-5-17-19(13)8-10/h2-8,18H,1H3.
What are the key properties of (2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate?
(2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 302.72 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylanilino) pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 154326690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).