methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

C19H16ClN5O2 — CID 19916151

IUPACmethyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cn(C)nc2C)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C19H16ClN5O2/c1-11-15(10-24(2)23-11)16-8-17(19(26)27-3)25-18(22-16)14(9-21-25)12-4-6-13(20)7-5-12/h4-10H,1-3H3
InChIKeyJCZFCNSANRTGBJ-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.55
Rot. Bonds3

About methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916151) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916151
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Namemethyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cn(C)nc2C)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C19H16ClN5O2/c1-11-15(10-24(2)23-11)16-8-17(19(26)27-3)25-18(22-16)14(9-21-25)12-4-6-13(20)7-5-12/h4-10H,1-3H3
InChIKeyJCZFCNSANRTGBJ-UHFFFAOYSA-N
XLogP3.55
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate with MolForge

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Related Compounds

Methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate
CID 166101779
Ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2088731
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
3-(4-Chlorophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 7711493
ethyl 3-butyl-1-pyridin-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylate
CID 14971686
6-(3-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600116
6-(4-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600117
6-(6-Chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600939
6-[6-(6-Chloro-3-pyridinyl)-3-pyridinyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600940
Propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 162652675

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916151) is methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2cn(C)nc2C)nc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is JCZFCNSANRTGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-11-15(10-24(2)23-11)16-8-17(19(26)27-3)25-18(22-16)14(9-21-25)12-4-6-13(20)7-5-12/h4-10H,1-3H3.
What are the key properties of methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 381.82 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).