N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C12H15N3O2 — CID 6626158

IUPACN-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)13-11(16)9-7-8(14-15-9)10-5-4-6-17-10/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChIKeyAWNYJTILYUWQCY-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.20
Rot. Bonds2

About N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 6626158) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID6626158
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C12H15N3O2/c1-12(2,3)13-11(16)9-7-8(14-15-9)10-5-4-6-17-10/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChIKeyAWNYJTILYUWQCY-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119599382
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
CID 109380983
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6862082
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 124848185
5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide
CID 111485372
5-(furan-2-yl)-N'-(1H-pyrrole-2-carbonyl)-1H-pyrazole-3-carbohydrazide
CID 78848489

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 6626158) is N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is CC(C)(C)NC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is AWNYJTILYUWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,3)13-11(16)9-7-8(14-15-9)10-5-4-6-17-10/h4-7H,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6626158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).