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

C24H29F3N4O — CID 19447413

IUPACN-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29F3N4O/c1-2-19(23-10-13-5-14(11-23)7-15(6-13)12-23)29-22(32)18-9-21-28-17(16-3-4-16)8-20(24(25,26)27)31(21)30-18/h8-9,13-16,19H,2-7,10-12H2,1H3,(H,29,32)
InChIKeyQQYWKEORFNYPDE-UHFFFAOYSA-N
MW446.52 g/mol
LogP5.35
Rot. Bonds5

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

N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19447413) has the molecular formula C24H29F3N4O and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19447413
Molecular FormulaC24H29F3N4O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC NameN-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29F3N4O/c1-2-19(23-10-13-5-14(11-23)7-15(6-13)12-23)29-22(32)18-9-21-28-17(16-3-4-16)8-20(24(25,26)27)31(21)30-18/h8-9,13-16,19H,2-7,10-12H2,1H3,(H,29,32)
InChIKeyQQYWKEORFNYPDE-UHFFFAOYSA-N
XLogP5.35
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]acetate
CID 19447457
5-cyclopropyl-N-(1-ethyl-5-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19394331
5-cyclopropyl-N-(4-ethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447376
5-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19290645
5-cyclopropyl-N-(2,6-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447361
N-[1-(1-adamantyl)propyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521876
N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449280
ethyl 2-[2-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19447415
N-butan-2-yl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455534
2-O-ethyl 4-O-propan-2-yl 5-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19447372
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19296464
N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4768700

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19447413) is N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCC(NC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QQYWKEORFNYPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O/c1-2-19(23-10-13-5-14(11-23)7-15(6-13)12-23)29-22(32)18-9-21-28-17(16-3-4-16)8-20(24(25,26)27)31(21)30-18/h8-9,13-16,19H,2-7,10-12H2,1H3,(H,29,32).
What are the key properties of N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19447413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).