2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide

C14H15N3O3 — CID 91774286

IUPAC2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
SMILESO=C(NCC1(Cn2cccn2)CC1)C(=O)c1ccco1
InChIInChI=1S/C14H15N3O3/c18-12(11-3-1-8-20-11)13(19)15-9-14(4-5-14)10-17-7-2-6-16-17/h1-3,6-8H,4-5,9-10H2,(H,15,19)
InChIKeyXWXXVWZSENSEOG-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.26
Rot. Bonds6

About 2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide

2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide (PubChem CID 91774286) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
PubChem CID91774286
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
SMILESO=C(NCC1(Cn2cccn2)CC1)C(=O)c1ccco1
InChIInChI=1S/C14H15N3O3/c18-12(11-3-1-8-20-11)13(19)15-9-14(4-5-14)10-17-7-2-6-16-17/h1-3,6-8H,4-5,9-10H2,(H,15,19)
InChIKeyXWXXVWZSENSEOG-UHFFFAOYSA-N
XLogP1.26
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 1224571
N-[2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl]-2-furamide
CID 4770639
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
N-[2-(Furan-2-YL)ethyl]-3-(3-methyl-1H-pyrazol-1-YL)propanamide
CID 46339450
N-[1-(furan-2-yl)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 53518626
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38607796
1-(Furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 44088315
(3S)-N-[2-(furan-2-yl)ethyl]-3-pyrazol-1-ylbutanamide
CID 92708111
N-[(2S)-2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2-methoxyacetamide
CID 129523857
(e)-1-(Furan-2-yl)-3-(1h-pyrazol-1-yl)prop-2-en-1one
CID 167993227
1-(Furan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 61631887
1-(Furan-2-yl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 64178631

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide (CID 91774286) is 2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide is O=C(NCC1(Cn2cccn2)CC1)C(=O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
The InChIKey is XWXXVWZSENSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12(11-3-1-8-20-11)13(19)15-9-14(4-5-14)10-17-7-2-6-16-17/h1-3,6-8H,4-5,9-10H2,(H,15,19).
What are the key properties of 2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide has a molecular weight of 273.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 91774286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).