N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

C21H19N3O3 — CID 55339723

IUPACN-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccco2)o1
InChIInChI=1S/C21H19N3O3/c1-15-9-10-19(27-15)20-18(14-24(23-20)16-6-3-2-4-7-16)21(25)22-12-11-17-8-5-13-26-17/h2-10,13-14H,11-12H2,1H3,(H,22,25)
InChIKeyGVKIANBVSHTBEH-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.01
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 55339723) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID55339723
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccco2)o1
InChIInChI=1S/C21H19N3O3/c1-15-9-10-19(27-15)20-18(14-24(23-20)16-6-3-2-4-7-16)21(25)22-12-11-17-8-5-13-26-17/h2-10,13-14H,11-12H2,1H3,(H,22,25)
InChIKeyGVKIANBVSHTBEH-UHFFFAOYSA-N
XLogP4.01
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
N-[2-(4-methoxyphenoxy)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55416323
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 60513199
N-(2-hydroxyethyl)-N-methyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 110878130
3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78812981
N-[(3-carbamoylphenyl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 32636261
N-(1,3-benzothiazol-2-ylmethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 38284507
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 86974071
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (CID 55339723) is N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccco2)o1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GVKIANBVSHTBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-15-9-10-19(27-15)20-18(14-24(23-20)16-6-3-2-4-7-16)21(25)22-12-11-17-8-5-13-26-17/h2-10,13-14H,11-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55339723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).