(3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C16H15N3O4 — CID 131986843

IUPAC(3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOCc1ccnc2c(C(=O)Oc3cccc(OC)c3)cnn12
InChIInChI=1S/C16H15N3O4/c1-21-10-11-6-7-17-15-14(9-18-19(11)15)16(20)23-13-5-3-4-12(8-13)22-2/h3-9H,10H2,1-2H3
InChIKeyMQCZAEULLXSZGR-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.10
Rot. Bonds5

About (3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

(3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 131986843) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is (3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID131986843
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name(3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOCc1ccnc2c(C(=O)Oc3cccc(OC)c3)cnn12
InChIInChI=1S/C16H15N3O4/c1-21-10-11-6-7-17-15-14(9-18-19(11)15)16(20)23-13-5-3-4-12(8-13)22-2/h3-9H,10H2,1-2H3
InChIKeyMQCZAEULLXSZGR-UHFFFAOYSA-N
XLogP2.10
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(3-methoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050176
(4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46050174
5-(methoxymethyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 131986699
ethyl 7-[3-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19412777
bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
(3-methoxyphenyl) 5-amino-1H-pyrazole-4-carboxylate
CID 117213662
N-cyclohexyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050171
ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 69155295
ethyl 5-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986746
(3-methoxyphenyl) 2-amino-1-propan-2-ylpyrrole-3-carboxylate
CID 117213848
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074639
sodium 5-(3-fluorophenyl)-7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 131986714

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of (3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 131986843) is (3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for (3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for (3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is COCc1ccnc2c(C(=O)Oc3cccc(OC)c3)cnn12.
What is the InChIKey of (3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is MQCZAEULLXSZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-21-10-11-6-7-17-15-14(9-18-19(11)15)16(20)23-13-5-3-4-12(8-13)22-2/h3-9H,10H2,1-2H3.
What are the key properties of (3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
(3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) 7-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 131986843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).