N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

C15H15N5O2 — CID 761751

IUPACN-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2cccn2C)n[nH]1)c1ccco1
InChIInChI=1S/C15H15N5O2/c1-10(14-6-4-8-22-14)16-19-15(21)12-9-11(17-18-12)13-5-3-7-20(13)2/h3-9H,1-2H3,(H,17,18)(H,19,21)
InChIKeyMXQZFYNTXASYFS-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.16
Rot. Bonds4

About N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 761751) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID761751
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2cccn2C)n[nH]1)c1ccco1
InChIInChI=1S/C15H15N5O2/c1-10(14-6-4-8-22-14)16-19-15(21)12-9-11(17-18-12)13-5-3-7-20(13)2/h3-9H,1-2H3,(H,17,18)(H,19,21)
InChIKeyMXQZFYNTXASYFS-UHFFFAOYSA-N
XLogP2.16
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6380303
3-(3-ethoxyphenyl)-N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 5399799
N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 135892511
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5399764
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 135765594
3-(1-methylpyrrol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5345439
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 5345858
3-(1-methylpyrrol-2-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5445405
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 761751) is N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is CC(=NNC(=O)c1cc(-c2cccn2C)n[nH]1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is MXQZFYNTXASYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-10(14-6-4-8-22-14)16-19-15(21)12-9-11(17-18-12)13-5-3-7-20(13)2/h3-9H,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 761751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).