N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C18H21F2N3O2 — CID 124861480

IUPACN-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@H]2COc3cc(F)cc(F)c32)cnn1CC(C)C
InChIInChI=1S/C18H21F2N3O2/c1-4-15-12(7-21-23(15)8-10(2)3)18(24)22-14-9-25-16-6-11(19)5-13(20)17(14)16/h5-7,10,14H,4,8-9H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyHXWGBVGBEWOHJT-AWEZNQCLSA-N
MW349.38 g/mol
LogP3.24
Rot. Bonds5

About N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide

N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 124861480) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID124861480
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC NameN-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@H]2COc3cc(F)cc(F)c32)cnn1CC(C)C
InChIInChI=1S/C18H21F2N3O2/c1-4-15-12(7-21-23(15)8-10(2)3)18(24)22-14-9-25-16-6-11(19)5-13(20)17(14)16/h5-7,10,14H,4,8-9H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyHXWGBVGBEWOHJT-AWEZNQCLSA-N
XLogP3.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119043473
N-[(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124736406
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042913
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614344
cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675965
5-(difluoromethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042951
2-[4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109668
N-[(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-yl]-5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124730162
5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109478350
5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614790
1-[(3S)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99778476
5-(difluoromethyl)-N-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042946

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 124861480) is N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide is CCc1c(C(=O)N[C@H]2COc3cc(F)cc(F)c32)cnn1CC(C)C.
What is the InChIKey of N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is HXWGBVGBEWOHJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-4-15-12(7-21-23(15)8-10(2)3)18(24)22-14-9-25-16-6-11(19)5-13(20)17(14)16/h5-7,10,14H,4,8-9H2,1-3H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 124861480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).