N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H13BrF2N6O2 — CID 155429385

IUPACN-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Br)ccc1OC(F)F)C1=C2N=CC=CN2NC1
InChIInChI=1S/C17H13BrF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-6,8,17,23H,7H2,(H,22,25)(H,24,27)
InChIKeySMSIIJMUXDRISC-UHFFFAOYSA-N
MW451.23 g/mol
LogP3.01
Rot. Bonds5

About N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155429385) has the molecular formula C17H13BrF2N6O2 and a molecular weight of 451.23 g/mol. Its IUPAC name is N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155429385
Molecular FormulaC17H13BrF2N6O2
Molecular Weight451.23 g/mol
Exact Mass450.03
IUPAC NameN-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Br)ccc1OC(F)F)C1=C2N=CC=CN2NC1
InChIInChI=1S/C17H13BrF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-6,8,17,23H,7H2,(H,22,25)(H,24,27)
InChIKeySMSIIJMUXDRISC-UHFFFAOYSA-N
XLogP3.01
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.23
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 130358930
(2E)-N-[5-[2,5-bis(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-[1-(methylideneamino)pyrimidin-2-ylidene]propanamide
CID 138690571
N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421426
N-[5-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421761
1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
CID 141405392
(2Z)-N-[3-[5-bromo-2-(1-fluoroethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-2-(1-methylpyrimidin-2-ylidene)but-3-enamide
CID 142477360
1-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
CID 152161304
N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154962216
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155472433
1-[3-[5-bromo-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
CID 156768956
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167113839
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167113859

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155429385) is N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc(Br)ccc1OC(F)F)C1=C2N=CC=CN2NC1.
What is the InChIKey of N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SMSIIJMUXDRISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N6O2/c18-9-2-3-13(28-17(19)20)10(6-9)14-12(8-22-25-14)24-16(27)11-7-23-26-5-1-4-21-15(11)26/h1-6,8,17,23H,7H2,(H,22,25)(H,24,27).
What are the key properties of N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155429385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).