methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate

C19H16F2N4O3 — CID 2164709

IUPACmethyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C19H16F2N4O3/c1-28-19(27)11-4-2-3-5-13(11)24-18(26)12-9-22-25-15(16(20)21)8-14(10-6-7-10)23-17(12)25/h2-5,8-10,16H,6-7H2,1H3,(H,24,26)
InChIKeyZRFDINVSBSNWED-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.58
Rot. Bonds5

About methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate

methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate (PubChem CID 2164709) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate
PubChem CID2164709
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Namemethyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C19H16F2N4O3/c1-28-19(27)11-4-2-3-5-13(11)24-18(26)12-9-22-25-15(16(20)21)8-14(10-6-7-10)23-17(12)25/h2-5,8-10,16H,6-7H2,1H3,(H,24,26)
InChIKeyZRFDINVSBSNWED-UHFFFAOYSA-N
XLogP3.58
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

Pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969301
O3-(2-fluorobenzoyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydroximamide
CID 9584170
Methyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)benzoate
CID 1093900
Ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086715
Prop-2-enyl 4-amino-1-(2-cyclopropylethyl)-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10380060
Benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10428093
Ethyl 7-(3-(4-methyl-3-(trifluoromethyl)benzamido)phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969668
Ethyl 7-(3-(3-(3-(trifluoromethyl)phenyl)ureido)phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969749
Methyl 7-(3-(3-(trifluoromethyl)benzamido)phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45271371
N-(4-acetylphenyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 997125
US9873709, Example 2-264
CID 117950892
3-[[2-(3,5-Dimethylpyrazol-1-yl)-5-ethoxycarbonylpyrimidin-4-yl]amino]benzoic acid
CID 662434

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate (CID 2164709) is methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate?
The InChIKey is ZRFDINVSBSNWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-28-19(27)11-4-2-3-5-13(11)24-18(26)12-9-22-25-15(16(20)21)8-14(10-6-7-10)23-17(12)25/h2-5,8-10,16H,6-7H2,1H3,(H,24,26).
What are the key properties of methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate?
methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate has a molecular weight of 386.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 2164709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).