N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide

C14H19N3O2 — CID 4770639

IUPACN-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide
SMILESCC(C)(C)C(Cn1cccn1)NC(=O)c1ccco1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)12(10-17-8-5-7-15-17)16-13(18)11-6-4-9-19-11/h4-9,12H,10H2,1-3H3,(H,16,18)
InChIKeyVWCVKLDUBFFFNJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.32
Rot. Bonds4

About N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide

N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide (PubChem CID 4770639) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide
PubChem CID4770639
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide
SMILESCC(C)(C)C(Cn1cccn1)NC(=O)c1ccco1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)12(10-17-8-5-7-15-17)16-13(18)11-6-4-9-19-11/h4-9,12H,10H2,1-3H3,(H,16,18)
InChIKeyVWCVKLDUBFFFNJ-UHFFFAOYSA-N
XLogP2.32
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide (CID 4770639) is N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide is CC(C)(C)C(Cn1cccn1)NC(=O)c1ccco1.
What is the InChIKey of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide?
The InChIKey is VWCVKLDUBFFFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)12(10-17-8-5-7-15-17)16-13(18)11-6-4-9-19-11/h4-9,12H,10H2,1-3H3,(H,16,18).
What are the key properties of N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide?
N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 4770639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).