N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17BrF2N4O — CID 5094745

IUPACN-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnn2c1NC(C1CC1)CC2C(F)F
InChIInChI=1S/C17H17BrF2N4O/c18-10-3-5-11(6-4-10)22-17(25)12-8-21-24-14(15(19)20)7-13(9-1-2-9)23-16(12)24/h3-6,8-9,13-15,23H,1-2,7H2,(H,22,25)
InChIKeyXBCMMLRSVMDEAV-UHFFFAOYSA-N
MW411.25 g/mol
LogP4.30
Rot. Bonds4

About N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5094745) has the molecular formula C17H17BrF2N4O and a molecular weight of 411.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5094745
Molecular FormulaC17H17BrF2N4O
Molecular Weight411.25 g/mol
Exact Mass410.06
IUPAC NameN-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnn2c1NC(C1CC1)CC2C(F)F
InChIInChI=1S/C17H17BrF2N4O/c18-10-3-5-11(6-4-10)22-17(25)12-8-21-24-14(15(19)20)7-13(9-1-2-9)23-16(12)24/h3-6,8-9,13-15,23H,1-2,7H2,(H,22,25)
InChIKeyXBCMMLRSVMDEAV-UHFFFAOYSA-N
XLogP4.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.25
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2964186
5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4614575
3-(4-bromoanilino)-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89471108
N-(tert-butyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2883919
5-(4-bromophenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 647677
5-(4-Bromophenyl)-3-(1-piperidinylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 2883904
5-(4-bromophenyl)-N-isopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2884096
5-(4-Bromophenyl)-3-(morpholin-4-ylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 2884178
5-(4-bromophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133887
5-(4-Fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 666945
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2972772
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 654041

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5094745) is N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cnn2c1NC(C1CC1)CC2C(F)F.
What is the InChIKey of N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XBCMMLRSVMDEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N4O/c18-10-3-5-11(6-4-10)22-17(25)12-8-21-24-14(15(19)20)7-13(9-1-2-9)23-16(12)24/h3-6,8-9,13-15,23H,1-2,7H2,(H,22,25).
What are the key properties of N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-cyclopropyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5094745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).