(1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate

C17H20N4O2 — CID 84586070

IUPAC(1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate
SMILESCc1cc(C)nc(-n2cc(C(=O)OC3(C4CC4)CC3)c(C)n2)n1
InChIInChI=1S/C17H20N4O2/c1-10-8-11(2)19-16(18-10)21-9-14(12(3)20-21)15(22)23-17(6-7-17)13-4-5-13/h8-9,13H,4-7H2,1-3H3
InChIKeyMMUQFNJMOOLMIU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.69
Rot. Bonds4

About (1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate

(1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate (PubChem CID 84586070) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate
PubChem CID84586070
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate
SMILESCc1cc(C)nc(-n2cc(C(=O)OC3(C4CC4)CC3)c(C)n2)n1
InChIInChI=1S/C17H20N4O2/c1-10-8-11(2)19-16(18-10)21-9-14(12(3)20-21)15(22)23-17(6-7-17)13-4-5-13/h8-9,13H,4-7H2,1-3H3
InChIKeyMMUQFNJMOOLMIU-UHFFFAOYSA-N
XLogP2.69
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-(dimethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 663249
Ethyl 4-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 662721
1-(4,6-dimethylpyrimidin-2-yl)-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 43324259
Ethyl 3-(2,2-difluoroethyl)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 170337342
Ethyl 3-(2-fluoroethyl)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 170337411
2-(3,5-Dimethylpyrazole-1-yl)-4-methyl-5-ethoxycarbon-ylpyrimidine
CID 11414291
5-Ethoxycarbonyl-4-methyl-2-(1-pyrazolyl)-pyrimidine
CID 83181779
ethyl 1-(4-cyano-6-methylpyrimidin-2-yl)-5-(difluoromethyl)-1H-pyrazole-4-carboxylate
CID 100759774
cyclopentyl 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazole-4-carboxylate
CID 71988200
Tert-butyl 5-(1-methylcyclopropyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazole-4-carboxylate
CID 67435492
Ethyl 5-methyl-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 83401195
ethyl 1-(2-chloropyrimidin-4-yl)-3-cyclopropyl-1H-pyrazole-4-carboxylate
CID 86698982

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate?
The IUPAC name of (1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate (CID 84586070) is (1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for (1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate?
The canonical SMILES for (1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate is Cc1cc(C)nc(-n2cc(C(=O)OC3(C4CC4)CC3)c(C)n2)n1.
What is the InChIKey of (1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate?
The InChIKey is MMUQFNJMOOLMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-8-11(2)19-16(18-10)21-9-14(12(3)20-21)15(22)23-17(6-7-17)13-4-5-13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of (1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate?
(1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylcyclopropyl) 1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 84586070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).