5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide

C17H17N3O2 — CID 112829139

IUPAC5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3ccccc3)n[nH]2)o1
InChIInChI=1S/C17H17N3O2/c1-12-7-8-16(22-12)14-11-15(20-19-14)17(21)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyJZPKBEONRJAYOJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.95
Rot. Bonds5

About 5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 112829139) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
PubChem CID112829139
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3ccccc3)n[nH]2)o1
InChIInChI=1S/C17H17N3O2/c1-12-7-8-16(22-12)14-11-15(20-19-14)17(21)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyJZPKBEONRJAYOJ-UHFFFAOYSA-N
XLogP2.95
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70775870
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70715052
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 120885072
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
5-(5-methylfuran-2-yl)-N-(2-propylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 70788324
5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 118780006
5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 112828757
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 162646082
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 146145690
N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829125

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide (CID 112829139) is 5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JZPKBEONRJAYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-7-8-16(22-12)14-11-15(20-19-14)17(21)18-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112829139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).