N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide

C17H17N3O3 — CID 19406430

IUPACN-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3ccco3)cn2)cc1
InChIInChI=1S/C17H17N3O3/c1-2-13-5-7-15(8-6-13)23-12-20-11-14(10-18-20)19-17(21)16-4-3-9-22-16/h3-11H,2,12H2,1H3,(H,19,21)
InChIKeyVFSBZRUARHPNGB-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.33
Rot. Bonds6

About N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide

N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19406430) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID19406430
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3ccco3)cn2)cc1
InChIInChI=1S/C17H17N3O3/c1-2-13-5-7-15(8-6-13)23-12-20-11-14(10-18-20)19-17(21)16-4-3-9-22-16/h3-11H,2,12H2,1H3,(H,19,21)
InChIKeyVFSBZRUARHPNGB-UHFFFAOYSA-N
XLogP3.33
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475482
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474128
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414245
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19406517
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19406511
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19511435
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281724
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406514
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262899
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262102
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19406478
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480548

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19406430) is N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide is CCc1ccc(OCn2cc(NC(=O)c3ccco3)cn2)cc1.
What is the InChIKey of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is VFSBZRUARHPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-13-5-7-15(8-6-13)23-12-20-11-14(10-18-20)19-17(21)16-4-3-9-22-16/h3-11H,2,12H2,1H3,(H,19,21).
What are the key properties of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide?
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19406430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).