methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

C13H17N5O2 — CID 136837832

IUPACmethyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1c(C)nn2c1NCCC2c1cnn(C)c1
InChIInChI=1S/C13H17N5O2/c1-8-11(13(19)20-3)12-14-5-4-10(18(12)16-8)9-6-15-17(2)7-9/h6-7,10,14H,4-5H2,1-3H3
InChIKeyFFJSEMHIEXXJKG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.12
Rot. Bonds2

About methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 136837832) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID136837832
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Namemethyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1c(C)nn2c1NCCC2c1cnn(C)c1
InChIInChI=1S/C13H17N5O2/c1-8-11(13(19)20-3)12-14-5-4-10(18(12)16-8)9-6-15-17(2)7-9/h6-7,10,14H,4-5H2,1-3H3
InChIKeyFFJSEMHIEXXJKG-UHFFFAOYSA-N
XLogP1.12
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Related Compounds

methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837842
methyl 2-methyl-7-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837854
methyl 2-methyl-7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837826
ethyl 2-methyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837807
methyl 7-(aminomethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837838
7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine
CID 136709919
ethyl 2-methyl-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136847620
methyl 2,5,7-trimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837831
ethyl 2-methyl-7-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837786
methyl 2-methyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]benzoate
CID 120920427
methyl 7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 136775739
7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709452

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 136837832) is methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is COC(=O)c1c(C)nn2c1NCCC2c1cnn(C)c1.
What is the InChIKey of methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is FFJSEMHIEXXJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-11(13(19)20-3)12-14-5-4-10(18(12)16-8)9-6-15-17(2)7-9/h6-7,10,14H,4-5H2,1-3H3.
What are the key properties of methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 136837832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).