pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C14H12N4O2 — CID 86846448

IUPACpyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2cccnc2c1C(=O)OCc1ccccn1
InChIInChI=1S/C14H12N4O2/c1-10-12(13-16-7-4-8-18(13)17-10)14(19)20-9-11-5-2-3-6-15-11/h2-8H,9H2,1H3
InChIKeySKZHAOLYPCBZHS-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.79
Rot. Bonds3

About pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 86846448) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID86846448
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Namepyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCc1nn2cccnc2c1C(=O)OCc1ccccn1
InChIInChI=1S/C14H12N4O2/c1-10-12(13-16-7-4-8-18(13)17-10)14(19)20-9-11-5-2-3-6-15-11/h2-8H,9H2,1H3
InChIKeySKZHAOLYPCBZHS-UHFFFAOYSA-N
XLogP1.79
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate 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

2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55990475
[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 97066011
[1-(2-bromophenyl)cyclopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71913304
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742950
N-methoxy-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044923
(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55817750
2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 86822894
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 150498169

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 86846448) is pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is Cc1nn2cccnc2c1C(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is SKZHAOLYPCBZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-10-12(13-16-7-4-8-18(13)17-10)14(19)20-9-11-5-2-3-6-15-11/h2-8H,9H2,1H3.
What are the key properties of pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 86846448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).