N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide

C12H15N3O2 — CID 47343702

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccoc2)n[nH]1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)9-6-10(15-14-9)13-11(16)8-4-5-17-7-8/h4-7H,1-3H3,(H2,13,14,15,16)
InChIKeyMYVGMKDICADXJN-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.55
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide (PubChem CID 47343702) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide
PubChem CID47343702
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccoc2)n[nH]1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)9-6-10(15-14-9)13-11(16)8-4-5-17-7-8/h4-7H,1-3H3,(H2,13,14,15,16)
InChIKeyMYVGMKDICADXJN-UHFFFAOYSA-N
XLogP2.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
CID 104620011
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618611
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 171352339
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 115589899
4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
CID 104618642
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodothiophene-3-carboxamide
CID 113233452
N-(5-tert-butyl-1H-pyrazol-3-yl)-9-oxofluorene-2-carboxamide
CID 55977209
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 112688842
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-ethylfuran-2-carboxamide
CID 47343724
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 104619986

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide (CID 47343702) is N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccoc2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide?
The InChIKey is MYVGMKDICADXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)9-6-10(15-14-9)13-11(16)8-4-5-17-7-8/h4-7H,1-3H3,(H2,13,14,15,16).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide is sourced from PubChem (CID 47343702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).