N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide

C14H15N5O5 — CID 6796110

IUPACN-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
SMILESCOc1nn(C(C)C(=O)NN=CC=Cc2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N5O5/c1-10(18-9-12(19(21)22)14(17-18)23-2)13(20)16-15-7-3-5-11-6-4-8-24-11/h3-10H,1-2H3,(H,16,20)
InChIKeyNYCHDRDKVGWXIG-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.77
Rot. Bonds7

About N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide

N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide (PubChem CID 6796110) has the molecular formula C14H15N5O5 and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
PubChem CID6796110
Molecular FormulaC14H15N5O5
Molecular Weight333.30 g/mol
Exact Mass333.11
IUPAC NameN-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
SMILESCOc1nn(C(C)C(=O)NN=CC=Cc2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15N5O5/c1-10(18-9-12(19(21)22)14(17-18)23-2)13(20)16-15-7-3-5-11-6-4-8-24-11/h3-10H,1-2H3,(H,16,20)
InChIKeyNYCHDRDKVGWXIG-UHFFFAOYSA-N
XLogP1.77
TPSA124.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 2983956
N-(2-furylmethyl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4918403
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 6869785
N'-[(E)-furan-2-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6880038
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 5423581
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5423737
1H-Pyrazole-1-butanamide, N-(2-furanylmethyl)-4-nitro-
CID 1257178
N-(furan-2-ylmethylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
CID 936291
N-[1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 942186
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide
CID 942619
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 943609
N'-[3-(2-furyl)-2-propenylidene]-2-{4-nitro-3-methoxy-1H-pyrazol-1-yl}propanohydrazide
CID 9626490

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide (CID 6796110) is N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide is COc1nn(C(C)C(=O)NN=CC=Cc2ccco2)cc1[N+](=O)[O-].
What is the InChIKey of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
The InChIKey is NYCHDRDKVGWXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O5/c1-10(18-9-12(19(21)22)14(17-18)23-2)13(20)16-15-7-3-5-11-6-4-8-24-11/h3-10H,1-2H3,(H,16,20).
What are the key properties of N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide?
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide has a molecular weight of 333.30 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 6796110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).