N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C19H21N3O4 — CID 87036692

IUPACN-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c1
InChIInChI=1S/C19H21N3O4/c1-2-24-9-10-25-13-14-5-3-6-15(11-14)20-19(23)17-12-16(21-22-17)18-7-4-8-26-18/h3-8,11-12H,2,9-10,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyJIVNUVBSVPQALZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.48
Rot. Bonds9

About N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 87036692) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID87036692
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c1
InChIInChI=1S/C19H21N3O4/c1-2-24-9-10-25-13-14-5-3-6-15(11-14)20-19(23)17-12-16(21-22-17)18-7-4-8-26-18/h3-8,11-12H,2,9-10,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyJIVNUVBSVPQALZ-UHFFFAOYSA-N
XLogP3.48
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513939
N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
CID 55807023
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146122551
2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622317
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55689940
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514034
ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19513885

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 87036692) is N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is CCOCCOCc1cccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is JIVNUVBSVPQALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-24-9-10-25-13-14-5-3-6-15(11-14)20-19(23)17-12-16(21-22-17)18-7-4-8-26-18/h3-8,11-12H,2,9-10,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 87036692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).