5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide

C19H25F3N6O2 — CID 29091707

IUPAC5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@H](C(F)(F)F)C[C@H]2C)n(C)n1
InChIInChI=1S/C19H25F3N6O2/c1-6-26(7-2)17(29)13-10-14(25(5)24-13)18(30)27-12(4)9-15(19(20,21)22)28-16(27)8-11(3)23-28/h8,10,12,15H,6-7,9H2,1-5H3/t12-,15+/m1/s1
InChIKeyZLAIFHKHIZJRST-DOMZBBRYSA-N
MW426.44 g/mol
LogP2.95
Rot. Bonds4

About 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide

5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide (PubChem CID 29091707) has the molecular formula C19H25F3N6O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide
PubChem CID29091707
Molecular FormulaC19H25F3N6O2
Molecular Weight426.44 g/mol
Exact Mass426.20
IUPAC Name5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@H](C(F)(F)F)C[C@H]2C)n(C)n1
InChIInChI=1S/C19H25F3N6O2/c1-6-26(7-2)17(29)13-10-14(25(5)24-13)18(30)27-12(4)9-15(19(20,21)22)28-16(27)8-11(3)23-28/h8,10,12,15H,6-7,9H2,1-5H3/t12-,15+/m1/s1
InChIKeyZLAIFHKHIZJRST-DOMZBBRYSA-N
XLogP2.95
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

methyl (E)-4-[2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobut-2-enoate
CID 154797588
(3,5-difluorophenyl)-[(5S,7S)-2,7-dimethyl-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 97005046
[(5S,7R)-2,7-dimethyl-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 97069686
(5R,7R)-5-methyl-4-prop-2-enoxycarbonyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167737949
[5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 4775525
(2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 66127573
(3S,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951643
[5-cyclopropyl-2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]methanone
CID 4777463
4-[2-[(5R,7R)-2,7-dimethyl-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 97237958
N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21093009
N-[(4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69464580
5-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 17026703

Frequently Asked Questions

What is the IUPAC name of 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide (CID 29091707) is 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide is CCN(CC)C(=O)c1cc(C(=O)N2c3cc(C)nn3[C@H](C(F)(F)F)C[C@H]2C)n(C)n1.
What is the InChIKey of 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The InChIKey is ZLAIFHKHIZJRST-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H25F3N6O2/c1-6-26(7-2)17(29)13-10-14(25(5)24-13)18(30)27-12(4)9-15(19(20,21)22)28-16(27)8-11(3)23-28/h8,10,12,15H,6-7,9H2,1-5H3/t12-,15+/m1/s1.
What are the key properties of 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide?
5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R,7S)-2,5-dimethyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]-N,N-diethyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 29091707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).