(1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C16H14N6O2 — CID 166332109

IUPAC(1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCc1c(C(=O)OCc2ccc3c(c2)nnn3C)cnc2ccnn12
InChIInChI=1S/C16H14N6O2/c1-10-12(8-17-15-5-6-18-22(10)15)16(23)24-9-11-3-4-14-13(7-11)19-20-21(14)2/h3-8H,9H2,1-2H3
InChIKeyPTSUPAKQNLAYMH-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.68
Rot. Bonds3

About (1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

(1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 166332109) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is (1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID166332109
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name(1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCc1c(C(=O)OCc2ccc3c(c2)nnn3C)cnc2ccnn12
InChIInChI=1S/C16H14N6O2/c1-10-12(8-17-15-5-6-18-22(10)15)16(23)24-9-11-3-4-14-13(7-11)19-20-21(14)2/h3-8H,9H2,1-2H3
InChIKeyPTSUPAKQNLAYMH-UHFFFAOYSA-N
XLogP1.68
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-methylbenzotriazol-5-yl)methyl 2-(2-methylphenyl)acetate
CID 71874807
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 166293738
5-ethyl-1-methylbenzotriazole
CID 20678691
(1-methylbenzotriazol-5-yl)methyl N-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469505
(1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469843
1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 167952889
methyl 1-methyl-5-[(7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)sulfamoyl]pyrrole-3-carboxylate
CID 166332080
ethyl 7-(2-chloro-4-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 71178929
3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide
CID 53014035
1-methyl-5-(2-methylpropyl)benzotriazole
CID 59731307
(3,4-dichlorophenyl)methyl 1-ethylbenzotriazole-5-carboxylate
CID 7806069
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 50965530

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of (1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 166332109) is (1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for (1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for (1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is Cc1c(C(=O)OCc2ccc3c(c2)nnn3C)cnc2ccnn12.
What is the InChIKey of (1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is PTSUPAKQNLAYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-10-12(8-17-15-5-6-18-22(10)15)16(23)24-9-11-3-4-14-13(7-11)19-20-21(14)2/h3-8H,9H2,1-2H3.
What are the key properties of (1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
(1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 322.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzotriazol-5-yl)methyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 166332109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).