N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20F2N6O3S — CID 142477458

IUPACN-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(CO)Sc1ccc(OC(F)F)c(C2NNC=C2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C20H20F2N6O3S/c1-11(10-29)32-12-3-4-16(31-20(21)22)13(7-12)17-15(9-24-27-17)26-19(30)14-8-25-28-6-2-5-23-18(14)28/h2-9,11,17,20,24,27,29H,10H2,1H3,(H,26,30)
InChIKeyDUUHIDNXIWNAHU-UHFFFAOYSA-N
MW462.48 g/mol
LogP2.22
Rot. Bonds8

About N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142477458) has the molecular formula C20H20F2N6O3S and a molecular weight of 462.48 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID142477458
Molecular FormulaC20H20F2N6O3S
Molecular Weight462.48 g/mol
Exact Mass462.13
IUPAC NameN-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(CO)Sc1ccc(OC(F)F)c(C2NNC=C2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C20H20F2N6O3S/c1-11(10-29)32-12-3-4-16(31-20(21)22)13(7-12)17-15(9-24-27-17)26-19(30)14-8-25-28-6-2-5-23-18(14)28/h2-9,11,17,20,24,27,29H,10H2,1H3,(H,26,30)
InChIKeyDUUHIDNXIWNAHU-UHFFFAOYSA-N
XLogP2.22
TPSA112.81 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145317149
N-[5-[2-(difluoromethoxy)-5-(difluoromethylsulfanyl)phenyl]-2-(2-oxooxolan-3-yl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142622280
N-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164797
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129177966
N-[3-[2-(difluoromethoxy)-5-(1,3-difluoropropan-2-ylsulfanyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164811
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414567
N-[3-[5-(azetidin-3-ylsulfanyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155429365
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-2-methyl-1-[2-[4-[methyl-[(2-methyl-1,3-dioxolan-2-yl)methyl]amino]piperidin-1-yl]-2-oxoethyl]-3H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421570
N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146626357
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129178158
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164794

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142477458) is N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(CO)Sc1ccc(OC(F)F)c(C2NNC=C2NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DUUHIDNXIWNAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O3S/c1-11(10-29)32-12-3-4-16(31-20(21)22)13(7-12)17-15(9-24-27-17)26-19(30)14-8-25-28-6-2-5-23-18(14)28/h2-9,11,17,20,24,27,29H,10H2,1H3,(H,26,30).
What are the key properties of N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 2.22, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfanyl)phenyl]-2,3-dihydro-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142477458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).