5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C33H26F2N10O9 — CID 161074206

IUPAC5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C(=O)O)n2nccc2n1.COC(=O)c1cc(C)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)O)n2nccc2n1
InChIInChI=1S/C15H10F2N4O3.C9H7N3O4.C9H9N3O2/c16-9-2-1-8(5-10(9)17)7-18-14(22)11-6-12(15(23)24)21-13(20-11)3-4-19-21;1-16-9(15)5-4-6(8(13)14)12-7(11-5)2-3-10-12;1-6-5-7(9(13)14-2)11-8-3-4-10-12(6)8/h1-6H,7H2,(H,18,22)(H,23,24);2-4H,1H3,(H,13,14);3-5H,1-2H3
InChIKeyUFAXMVAPEDRBJT-UHFFFAOYSA-N
MW744.63 g/mol
LogP2.67
Rot. Bonds7

About 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate

5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 161074206) has the molecular formula C33H26F2N10O9 and a molecular weight of 744.63 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID161074206
Molecular FormulaC33H26F2N10O9
Molecular Weight744.63 g/mol
Exact Mass744.19
IUPAC Name5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C(=O)O)n2nccc2n1.COC(=O)c1cc(C)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)O)n2nccc2n1
InChIInChI=1S/C15H10F2N4O3.C9H7N3O4.C9H9N3O2/c16-9-2-1-8(5-10(9)17)7-18-14(22)11-6-12(15(23)24)21-13(20-11)3-4-19-21;1-16-9(15)5-4-6(8(13)14)12-7(11-5)2-3-10-12;1-6-5-7(9(13)14-2)11-8-3-4-10-12(6)8/h1-6H,7H2,(H,18,22)(H,23,24);2-4H,1H3,(H,13,14);3-5H,1-2H3
InChIKeyUFAXMVAPEDRBJT-UHFFFAOYSA-N
XLogP2.67
TPSA246.87 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.63
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-bromo-5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 25054041
3-Fluoro-5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 25057677
5-[(4-Fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 25057945
Methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 25057946
5-[(3,4-Difluorophenyl)methylcarbamoyl]-2-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 58916604
Methyl 5-[(3,4-difluorophenyl)methylcarbamoyl]-3-iodopyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 58916611
5-(3,4-Difluoro-benzylcarbamoyl)-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid methyl ester
CID 58916650
5-[(3,4-Difluorophenyl)methylcarbamoyl]-7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-3-sulfonic acid
CID 58916678
5-[(3,4-Difluorophenyl)methylcarbamoyl]-7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 58916679
Methyl 5-[(3,5-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 59460769
5-[(3,5-Difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59460863
7-[(3,4-Difluorophenyl)methylcarbamoyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59461220

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 161074206) is 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)c1cc(C(=O)O)n2nccc2n1.COC(=O)c1cc(C)n2nccc2n1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(=O)O)n2nccc2n1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is UFAXMVAPEDRBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O3.C9H7N3O4.C9H9N3O2/c16-9-2-1-8(5-10(9)17)7-18-14(22)11-6-12(15(23)24)21-13(20-11)3-4-19-21;1-16-9(15)5-4-6(8(13)14)12-7(11-5)2-3-10-12;1-6-5-7(9(13)14-2)11-8-3-4-10-12(6)8/h1-6H,7H2,(H,18,22)(H,23,24);2-4H,1H3,(H,13,14);3-5H,1-2H3.
What are the key properties of 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 744.63 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid;5-methoxycarbonylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid;methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 161074206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).