5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide

C18H19N3O3 — CID 112828757

IUPAC5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(OCCNC(=O)c2cc(-c3ccc(C)o3)[nH]n2)cc1
InChIInChI=1S/C18H19N3O3/c1-12-3-6-14(7-4-12)23-10-9-19-18(22)16-11-15(20-21-16)17-8-5-13(2)24-17/h3-8,11H,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUMELYFAUJTYVQG-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.10
Rot. Bonds6

About 5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 112828757) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID112828757
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(OCCNC(=O)c2cc(-c3ccc(C)o3)[nH]n2)cc1
InChIInChI=1S/C18H19N3O3/c1-12-3-6-14(7-4-12)23-10-9-19-18(22)16-11-15(20-21-16)17-8-5-13(2)24-17/h3-8,11H,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUMELYFAUJTYVQG-UHFFFAOYSA-N
XLogP3.10
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829300
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70715052
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70772191
N-[(2R)-2-(ethylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 120652895
5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 118780006
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 74246934
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70715083
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70742905

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide (CID 112828757) is 5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide is Cc1ccc(OCCNC(=O)c2cc(-c3ccc(C)o3)[nH]n2)cc1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UMELYFAUJTYVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-3-6-14(7-4-12)23-10-9-19-18(22)16-11-15(20-21-16)17-8-5-13(2)24-17/h3-8,11H,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112828757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).