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

C20H18F2N6O5S — CID 155415290

IUPACN-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1Cc1cc(S(=O)(=O)CCO)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C20H18F2N6O5S/c21-20(22)33-17-3-2-13(34(31,32)7-6-29)8-12(17)9-15-16(11-24-27-15)26-19(30)14-10-25-28-5-1-4-23-18(14)28/h1-5,8,10-11,20,29H,6-7,9H2,(H,24,27)(H,26,30)
InChIKeySMFUTYFNPRDHIV-UHFFFAOYSA-N
MW492.46 g/mol
LogP1.66
Rot. Bonds9

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

N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155415290) has the molecular formula C20H18F2N6O5S and a molecular weight of 492.46 g/mol. Its IUPAC name is N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155415290
Molecular FormulaC20H18F2N6O5S
Molecular Weight492.46 g/mol
Exact Mass492.10
IUPAC NameN-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1Cc1cc(S(=O)(=O)CCO)ccc1OC(F)F)c1cnn2cccnc12
InChIInChI=1S/C20H18F2N6O5S/c21-20(22)33-17-3-2-13(34(31,32)7-6-29)8-12(17)9-15-16(11-24-27-15)26-19(30)14-10-25-28-5-1-4-23-18(14)28/h1-5,8,10-11,20,29H,6-7,9H2,(H,24,27)(H,26,30)
InChIKeySMFUTYFNPRDHIV-UHFFFAOYSA-N
XLogP1.66
TPSA151.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[2-(difluoromethoxy)-5-(1H-pyrazol-4-ylsulfonyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[5-[3-(difluoromethoxy)naphthalen-2-yl]-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
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CID 164730024
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N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[5-[6-(difluoromethoxy)-1H-isoindol-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155415290) is N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1Cc1cc(S(=O)(=O)CCO)ccc1OC(F)F)c1cnn2cccnc12.
What is the InChIKey of N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SMFUTYFNPRDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O5S/c21-20(22)33-17-3-2-13(34(31,32)7-6-29)8-12(17)9-15-16(11-24-27-15)26-19(30)14-10-25-28-5-1-4-23-18(14)28/h1-5,8,10-11,20,29H,6-7,9H2,(H,24,27)(H,26,30).
What are the key properties of N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(difluoromethoxy)-5-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155415290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).