N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H16F2N6O2S — CID 135200229

IUPACN-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc2cc(OC(F)F)c(-c3[nH]ncc3NC(=O)C3=C4N=CC=CN4NC3)cc2s1
InChIInChI=1S/C20H16F2N6O2S/c1-10-5-11-6-15(30-20(21)22)12(7-16(11)31-10)17-14(9-24-27-17)26-19(29)13-8-25-28-4-2-3-23-18(13)28/h2-7,9,20,25H,8H2,1H3,(H,24,27)(H,26,29)
InChIKeyZFXXYHGMKWXYPO-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.77
Rot. Bonds5

About N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135200229) has the molecular formula C20H16F2N6O2S and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135200229
Molecular FormulaC20H16F2N6O2S
Molecular Weight442.45 g/mol
Exact Mass442.10
IUPAC NameN-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc2cc(OC(F)F)c(-c3[nH]ncc3NC(=O)C3=C4N=CC=CN4NC3)cc2s1
InChIInChI=1S/C20H16F2N6O2S/c1-10-5-11-6-15(30-20(21)22)12(7-16(11)31-10)17-14(9-24-27-17)26-19(29)13-8-25-28-4-2-3-23-18(13)28/h2-7,9,20,25H,8H2,1H3,(H,24,27)(H,26,29)
InChIKeyZFXXYHGMKWXYPO-UHFFFAOYSA-N
XLogP3.77
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

US11155557, Example 25
CID 135200230
N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421426
N-[5-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421457
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-(methylamino)ethyl]pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421555
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421587
N-[1-(2-aminoethyl)-3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421609
N-[5-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421761
5-[5-(Difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 153278801
N-[3-[2-(difluoromethoxy)-5-(difluoromethylsulfinyl)phenyl]-1-methylpyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155429334
N-[3-[2-(difluoromethoxy)-5-propylsulfanylphenyl]-1-methylpyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155429370
N-[3-[2-(difluoromethoxy)-5-(1-formylazetidin-3-yl)sulfanylphenyl]-1-methylpyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155429391
6-[1-[2-[4-[(1-cyanocyclopropyl)methylamino]piperidin-1-yl]-2-oxoethyl]-4-(2H-pyrazolo[1,5-a]pyrimidin-1-yl)pyrazol-3-yl]-5-(difluoromethoxy)-1-benzothiophene-2-carboxamide
CID 151890024

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135200229) is N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc2cc(OC(F)F)c(-c3[nH]ncc3NC(=O)C3=C4N=CC=CN4NC3)cc2s1.
What is the InChIKey of N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZFXXYHGMKWXYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2S/c1-10-5-11-6-15(30-20(21)22)12(7-16(11)31-10)17-14(9-24-27-17)26-19(29)13-8-25-28-4-2-3-23-18(13)28/h2-7,9,20,25H,8H2,1H3,(H,24,27)(H,26,29).
What are the key properties of N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(difluoromethoxy)-2-methyl-1-benzothiophen-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135200229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).