N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17BrF2N6O — CID 4770401

IUPACN-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCn1cc(Br)cn1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C17H17BrF2N6O/c18-11-7-22-25(9-11)5-1-4-21-17(27)12-8-23-26-14(15(19)20)6-13(10-2-3-10)24-16(12)26/h6-10,15H,1-5H2,(H,21,27)
InChIKeyXHZMMRSPUHFETH-UHFFFAOYSA-N
MW439.26 g/mol
LogP3.32
Rot. Bonds7

About N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4770401) has the molecular formula C17H17BrF2N6O and a molecular weight of 439.26 g/mol. Its IUPAC name is N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4770401
Molecular FormulaC17H17BrF2N6O
Molecular Weight439.26 g/mol
Exact Mass438.06
IUPAC NameN-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCn1cc(Br)cn1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C17H17BrF2N6O/c18-11-7-22-25(9-11)5-1-4-21-17(27)12-8-23-26-14(15(19)20)6-13(10-2-3-10)24-16(12)26/h6-10,15H,1-5H2,(H,21,27)
InChIKeyXHZMMRSPUHFETH-UHFFFAOYSA-N
XLogP3.32
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969631
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
5-[[(1R,2S)-2-Aminocyclohexyl]amino]-N-[1-methyl-3-(perfluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181632
5-cyclopropyl-7-(difluoromethyl)-N-(tetrahydro-2-furanylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2978511
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[6-(3-fluoro-1-methylpyrazol-4-yl)-2-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449637
5-Cyclopropyl-7-(difluoromethyl)-3-(1-pyrrolidinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 1256831
5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1257886
N-cyclohexyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4769220
N-cyclopropyl-5-(2-(5-fluoro-2-methylpyridin-3-yl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66885374
N-(cyclopropylmethyl)-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501221
N-cyclopropyl-5-[(2R)-2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68913488
N-cyclopropyl-5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68915274

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4770401) is N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCCn1cc(Br)cn1)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XHZMMRSPUHFETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N6O/c18-11-7-22-25(9-11)5-1-4-21-17(27)12-8-23-26-14(15(19)20)6-13(10-2-3-10)24-16(12)26/h6-10,15H,1-5H2,(H,21,27).
What are the key properties of N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.26 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromopyrazol-1-yl)propyl]-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4770401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).