N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H16F2N6O — CID 4863093

IUPACN-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(-c2ccnc3cc(C(=O)Nc4cc(F)ccc4F)nn23)c(C)n1
InChIInChI=1S/C19H16F2N6O/c1-3-26-10-13(11(2)24-26)17-6-7-22-18-9-16(25-27(17)18)19(28)23-15-8-12(20)4-5-14(15)21/h4-10H,3H2,1-2H3,(H,23,28)
InChIKeyPLBHSEHZMVBIFZ-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.45
Rot. Bonds4

About N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4863093) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4863093
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC NameN-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(-c2ccnc3cc(C(=O)Nc4cc(F)ccc4F)nn23)c(C)n1
InChIInChI=1S/C19H16F2N6O/c1-3-26-10-13(11(2)24-26)17-6-7-22-18-9-16(25-27(17)18)19(28)23-15-8-12(20)4-5-14(15)21/h4-10H,3H2,1-2H3,(H,23,28)
InChIKeyPLBHSEHZMVBIFZ-UHFFFAOYSA-N
XLogP3.45
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4863085
N-(2,5-difluorophenyl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5243772
N-(2,5-difluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575701
N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416613
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468440
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468573
N-(2,5-difluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17026382
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416507
2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4863042
N-(2-fluorophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400677
N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468343
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468405

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4863093) is N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(-c2ccnc3cc(C(=O)Nc4cc(F)ccc4F)nn23)c(C)n1.
What is the InChIKey of N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PLBHSEHZMVBIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-3-26-10-13(11(2)24-26)17-6-7-22-18-9-16(25-27(17)18)19(28)23-15-8-12(20)4-5-14(15)21/h4-10H,3H2,1-2H3,(H,23,28).
What are the key properties of N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4863093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).