N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide

C14H19N3O2 — CID 122265939

IUPACN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(c1ccco1)n1cccn1
InChIInChI=1S/C14H19N3O2/c1-11(2)9-14(18)15-10-12(13-5-3-8-19-13)17-7-4-6-16-17/h3-8,11-12H,9-10H2,1-2H3,(H,15,18)
InChIKeyXRIVREHKXUMEIQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.23
Rot. Bonds6

About N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide (PubChem CID 122265939) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
PubChem CID122265939
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(c1ccco1)n1cccn1
InChIInChI=1S/C14H19N3O2/c1-11(2)9-14(18)15-10-12(13-5-3-8-19-13)17-7-4-6-16-17/h3-8,11-12H,9-10H2,1-2H3,(H,15,18)
InChIKeyXRIVREHKXUMEIQ-UHFFFAOYSA-N
XLogP2.23
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265940
2-(4-ethoxyphenoxy)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122266032
2-cyclohexyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265953
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265973
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122266215
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
CID 122265946
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
CID 121019365
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 122266237
3-(dimethylamino)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265981

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide (CID 122265939) is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide is CC(C)CC(=O)NCC(c1ccco1)n1cccn1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide?
The InChIKey is XRIVREHKXUMEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(2)9-14(18)15-10-12(13-5-3-8-19-13)17-7-4-6-16-17/h3-8,11-12H,9-10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide?
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide has a molecular weight of 261.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide is sourced from PubChem (CID 122265939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).