N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H14F2N6O3 — CID 135200233

IUPACN-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)CCO2)c1cnn2cccnc12
InChIInChI=1S/C19H14F2N6O3/c20-19(21)30-15-6-10-2-5-29-14(10)7-11(15)16-13(9-23-26-16)25-18(28)12-8-24-27-4-1-3-22-17(12)27/h1,3-4,6-9,19H,2,5H2,(H,23,26)(H,25,28)
InChIKeyUKWNKVMCKCUSLW-UHFFFAOYSA-N
MW412.36 g/mol
LogP2.91
Rot. Bonds5

About N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135200233) has the molecular formula C19H14F2N6O3 and a molecular weight of 412.36 g/mol. Its IUPAC name is N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135200233
Molecular FormulaC19H14F2N6O3
Molecular Weight412.36 g/mol
Exact Mass412.11
IUPAC NameN-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)CCO2)c1cnn2cccnc12
InChIInChI=1S/C19H14F2N6O3/c20-19(21)30-15-6-10-2-5-29-14(10)7-11(15)16-13(9-23-26-16)25-18(28)12-8-24-27-4-1-3-22-17(12)27/h1,3-4,6-9,19H,2,5H2,(H,23,26)(H,25,28)
InChIKeyUKWNKVMCKCUSLW-UHFFFAOYSA-N
XLogP2.91
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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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-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-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-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135200233) is N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)CCO2)c1cnn2cccnc12.
What is the InChIKey of N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UKWNKVMCKCUSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O3/c20-19(21)30-15-6-10-2-5-29-14(10)7-11(15)16-13(9-23-26-16)25-18(28)12-8-24-27-4-1-3-22-17(12)27/h1,3-4,6-9,19H,2,5H2,(H,23,26)(H,25,28).
What are the key properties of N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 412.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135200233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).