N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide

C17H16N4O4 — CID 4116440

IUPACN-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C=NNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C17H16N4O4/c1-23-12-5-6-13(15(8-12)24-2)16-11(9-18-20-16)10-19-21-17(22)14-4-3-7-25-14/h3-10H,1-2H3,(H,18,20)(H,21,22)
InChIKeyFOUKTPKKVFPVDM-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.45
Rot. Bonds6

About N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide

N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide (PubChem CID 4116440) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide
PubChem CID4116440
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C=NNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C17H16N4O4/c1-23-12-5-6-13(15(8-12)24-2)16-11(9-18-20-16)10-19-21-17(22)14-4-3-7-25-14/h3-10H,1-2H3,(H,18,20)(H,21,22)
InChIKeyFOUKTPKKVFPVDM-UHFFFAOYSA-N
XLogP2.45
TPSA101.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide (CID 4116440) is N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide is COc1ccc(-c2[nH]ncc2C=NNC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is FOUKTPKKVFPVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-23-12-5-6-13(15(8-12)24-2)16-11(9-18-20-16)10-19-21-17(22)14-4-3-7-25-14/h3-10H,1-2H3,(H,18,20)(H,21,22).
What are the key properties of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide?
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 4116440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).