N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23F2N5O3 — CID 145338747

IUPACN-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1cc(NC(=O)C2=C3N=CC=CN3NC2)c(N2CCOCC2)cc1OC(F)F
InChIInChI=1S/C20H23F2N5O3/c1-2-13-10-15(25-19(28)14-12-24-27-5-3-4-23-18(14)27)16(11-17(13)30-20(21)22)26-6-8-29-9-7-26/h3-5,10-11,20,24H,2,6-9,12H2,1H3,(H,25,28)
InChIKeyUVIHDFMQHUJFLL-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.26
Rot. Bonds6

About N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145338747) has the molecular formula C20H23F2N5O3 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145338747
Molecular FormulaC20H23F2N5O3
Molecular Weight419.43 g/mol
Exact Mass419.18
IUPAC NameN-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1cc(NC(=O)C2=C3N=CC=CN3NC2)c(N2CCOCC2)cc1OC(F)F
InChIInChI=1S/C20H23F2N5O3/c1-2-13-10-15(25-19(28)14-12-24-27-5-3-4-23-18(14)27)16(11-17(13)30-20(21)22)26-6-8-29-9-7-26/h3-5,10-11,20,24H,2,6-9,12H2,1H3,(H,25,28)
InChIKeyUVIHDFMQHUJFLL-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135200234
N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135200217
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 139021619
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine
CID 121300583
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 98419948
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 2469905
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
(5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid
CID 139510840
4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3979887
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145338747) is N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1cc(NC(=O)C2=C3N=CC=CN3NC2)c(N2CCOCC2)cc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UVIHDFMQHUJFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O3/c1-2-13-10-15(25-19(28)14-12-24-27-5-3-4-23-18(14)27)16(11-17(13)30-20(21)22)26-6-8-29-9-7-26/h3-5,10-11,20,24H,2,6-9,12H2,1H3,(H,25,28).
What are the key properties of N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145338747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).