N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H24F2N4O — CID 4768700

IUPACN-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C21H24F2N4O/c22-19(23)17-6-15(14-1-2-14)24-18-7-16(26-27(17)18)20(28)25-21-8-11-3-12(9-21)5-13(4-11)10-21/h6-7,11-14,19H,1-5,8-10H2,(H,25,28)
InChIKeyRGBLOTBKBQTJLX-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.24
Rot. Bonds4

About N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4768700) has the molecular formula C21H24F2N4O and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4768700
Molecular FormulaC21H24F2N4O
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC NameN-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C21H24F2N4O/c22-19(23)17-6-15(14-1-2-14)24-18-7-16(26-27(17)18)20(28)25-21-8-11-3-12(9-21)5-13(4-11)10-21/h6-7,11-14,19H,1-5,8-10H2,(H,25,28)
InChIKeyRGBLOTBKBQTJLX-UHFFFAOYSA-N
XLogP4.24
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453911
N-butan-2-yl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455534
5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453862
2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-2-phenylacetic acid
CID 19583383
N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449280
5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455605
N-(1-adamantylmethyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769268
5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4771847
5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455649
N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447413
N-(1-adamantyl)-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459845
propan-2-yl 2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19453874

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4768700) is N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2nc(C3CC3)cc(C(F)F)n2n1.
What is the InChIKey of N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RGBLOTBKBQTJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O/c22-19(23)17-6-15(14-1-2-14)24-18-7-16(26-27(17)18)20(28)25-21-8-11-3-12(9-21)5-13(4-11)10-21/h6-7,11-14,19H,1-5,8-10H2,(H,25,28).
What are the key properties of N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4768700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).