N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C18H19N3O4 — CID 97020856

IUPACN-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cc(-c3ccco3)[nH]n2)c(OC)c1
InChIInChI=1S/C18H19N3O4/c1-11(13-7-6-12(23-2)9-17(13)24-3)19-18(22)15-10-14(20-21-15)16-5-4-8-25-16/h4-11H,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKeyZMLQIIQGGPWKCF-NSHDSACASA-N
MW341.37 g/mol
LogP3.18
Rot. Bonds6

About N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 97020856) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID97020856
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cc(-c3ccco3)[nH]n2)c(OC)c1
InChIInChI=1S/C18H19N3O4/c1-11(13-7-6-12(23-2)9-17(13)24-3)19-18(22)15-10-14(20-21-15)16-5-4-8-25-16/h4-11H,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKeyZMLQIIQGGPWKCF-NSHDSACASA-N
XLogP3.18
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 124848185
5-(furan-2-yl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-3-carboxamide
CID 124841426
N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 100622833
5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 86982220
5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 111115498
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 95351210

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 97020856) is N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is COc1ccc([C@H](C)NC(=O)c2cc(-c3ccco3)[nH]n2)c(OC)c1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZMLQIIQGGPWKCF-NSHDSACASA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11(13-7-6-12(23-2)9-17(13)24-3)19-18(22)15-10-14(20-21-15)16-5-4-8-25-16/h4-11H,1-3H3,(H,19,22)(H,20,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97020856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).