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

C16H21N3O2 — CID 122265946

IUPACN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
SMILESO=C(NCC(c1ccco1)n1cccn1)C1CCCCC1
InChIInChI=1S/C16H21N3O2/c20-16(13-6-2-1-3-7-13)17-12-14(15-8-4-11-21-15)19-10-5-9-18-19/h4-5,8-11,13-14H,1-3,6-7,12H2,(H,17,20)
InChIKeyZAIZHJHKCCGWLW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.76
Rot. Bonds5

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

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide (PubChem CID 122265946) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
PubChem CID122265946
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
SMILESO=C(NCC(c1ccco1)n1cccn1)C1CCCCC1
InChIInChI=1S/C16H21N3O2/c20-16(13-6-2-1-3-7-13)17-12-14(15-8-4-11-21-15)19-10-5-9-18-19/h4-5,8-11,13-14H,1-3,6-7,12H2,(H,17,20)
InChIKeyZAIZHJHKCCGWLW-UHFFFAOYSA-N
XLogP2.76
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
CID 121019365
2-cyclohexyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265953
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
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
2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265973
2-ethoxy-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265940
N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 119102102
1-(cyclopropanecarbonyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-4-carboxamide
CID 51162652

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide (CID 122265946) is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide is O=C(NCC(c1ccco1)n1cccn1)C1CCCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide?
The InChIKey is ZAIZHJHKCCGWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-16(13-6-2-1-3-7-13)17-12-14(15-8-4-11-21-15)19-10-5-9-18-19/h4-5,8-11,13-14H,1-3,6-7,12H2,(H,17,20).
What are the key properties of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide?
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.76, 5 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]cyclohexanecarboxamide is sourced from PubChem (CID 122265946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).