methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate

C12H12F2N4O3 — CID 19416357

IUPACmethyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cnn2c(C(F)F)cc(C)nc12
InChIInChI=1S/C12H12F2N4O3/c1-6-3-8(10(13)14)18-11(17-6)7(4-16-18)12(20)15-5-9(19)21-2/h3-4,10H,5H2,1-2H3,(H,15,20)
InChIKeyNIPDYKXJZOTBAV-UHFFFAOYSA-N
MW298.25 g/mol
LogP0.88
Rot. Bonds4

About methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate

methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate (PubChem CID 19416357) has the molecular formula C12H12F2N4O3 and a molecular weight of 298.25 g/mol. Its IUPAC name is methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
PubChem CID19416357
Molecular FormulaC12H12F2N4O3
Molecular Weight298.25 g/mol
Exact Mass298.09
IUPAC Namemethyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cnn2c(C(F)F)cc(C)nc12
InChIInChI=1S/C12H12F2N4O3/c1-6-3-8(10(13)14)18-11(17-6)7(4-16-18)12(20)15-5-9(19)21-2/h3-4,10H,5H2,1-2H3,(H,15,20)
InChIKeyNIPDYKXJZOTBAV-UHFFFAOYSA-N
XLogP0.88
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-(Difluoromethyl)-5-methylpyrazolo[1,5-A]pyrimidine-3-carbonyl]piperidine
CID 1093978
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4572525
7-(Difluoromethyl)-5-methylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 842761
N-isobutyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821351
N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969631
N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
1-{[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-4-piperidinecarboxamide
CID 969761
5,7-Dimethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 17593557
N,5,7-trimethylpyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 19440818
5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097803
5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440633
Ethyl 5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843623

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate (CID 19416357) is methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)c1cnn2c(C(F)F)cc(C)nc12.
What is the InChIKey of methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate?
The InChIKey is NIPDYKXJZOTBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O3/c1-6-3-8(10(13)14)18-11(17-6)7(4-16-18)12(20)15-5-9(19)21-2/h3-4,10H,5H2,1-2H3,(H,15,20).
What are the key properties of methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate?
methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate has a molecular weight of 298.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 19416357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).