5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H22F2N6O — CID 19455555

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3cc4nc(C5CC5)cc(C(F)F)n4n3)c2)n1
InChIInChI=1S/C23H22F2N6O/c1-13-8-14(2)30(28-13)12-15-4-3-5-17(9-15)26-23(32)19-11-21-27-18(16-6-7-16)10-20(22(24)25)31(21)29-19/h3-5,8-11,16,22H,6-7,12H2,1-2H3,(H,26,32)
InChIKeyHUSLTNBDUUTACN-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.66
Rot. Bonds6

About 5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19455555) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19455555
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3cc4nc(C5CC5)cc(C(F)F)n4n3)c2)n1
InChIInChI=1S/C23H22F2N6O/c1-13-8-14(2)30(28-13)12-15-4-3-5-17(9-15)26-23(32)19-11-21-27-18(16-6-7-16)10-20(22(24)25)31(21)29-19/h3-5,8-11,16,22H,6-7,12H2,1-2H3,(H,26,32)
InChIKeyHUSLTNBDUUTACN-UHFFFAOYSA-N
XLogP4.66
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455610
5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453862
5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455605
5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453911
5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455649
N-butan-2-yl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455534
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19505798
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514551
trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 95617250
2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-2-phenylacetic acid
CID 19583383
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 86901727

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19455555) is 5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)c3cc4nc(C5CC5)cc(C(F)F)n4n3)c2)n1.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HUSLTNBDUUTACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c1-13-8-14(2)30(28-13)12-15-4-3-5-17(9-15)26-23(32)19-11-21-27-18(16-6-7-16)10-20(22(24)25)31(21)29-19/h3-5,8-11,16,22H,6-7,12H2,1-2H3,(H,26,32).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19455555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).