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

C19H21F3N4O — CID 19449280

IUPACN-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2n1
InChIInChI=1S/C19H21F3N4O/c1-10-2-15(19(20,21)22)26-16(23-10)6-14(25-26)17(27)24-18-7-11-3-12(8-18)5-13(4-11)9-18/h2,6,11-13H,3-5,7-9H2,1H3,(H,24,27)
InChIKeyXTYWODCAZRVDAS-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.76
Rot. Bonds2

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

N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449280) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449280
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC NameN-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2n1
InChIInChI=1S/C19H21F3N4O/c1-10-2-15(19(20,21)22)26-16(23-10)6-14(25-26)17(27)24-18-7-11-3-12(8-18)5-13(4-11)9-18/h2,6,11-13H,3-5,7-9H2,1H3,(H,24,27)
InChIKeyXTYWODCAZRVDAS-UHFFFAOYSA-N
XLogP3.76
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4768700
7-[chloro(difluoro)methyl]-N-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19457963
N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4916081
N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447413
N-(1-adamantylmethyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3601474
N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449408
5-methyl-N-(2-piperidin-1-ylsulfonylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46968419
5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449552
5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19916014
5-methyl-7-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46970565
[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 99954757
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449472

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449280) is N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2n1.
What is the InChIKey of N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XTYWODCAZRVDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-10-2-15(19(20,21)22)26-16(23-10)6-14(25-26)17(27)24-18-7-11-3-12(8-18)5-13(4-11)9-18/h2,6,11-13H,3-5,7-9H2,1H3,(H,24,27).
What are the key properties of N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).