N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C16H14N6O2 — CID 145176609

IUPACN-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESC=C/C=C(\N=C)c1[nH]ncc1NC(=O)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C16H14N6O2/c1-3-4-11(17-2)15-12(9-20-22-15)21-16(23)14-6-5-13(24-14)10-7-18-19-8-10/h3-9H,1-2H2,(H,18,19)(H,20,22)(H,21,23)/b11-4-
InChIKeyOCGDGILVZLRNJA-WCIBSUBMSA-N
MW322.33 g/mol
LogP2.87
Rot. Bonds6

About N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 145176609) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID145176609
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC NameN-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESC=C/C=C(\N=C)c1[nH]ncc1NC(=O)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C16H14N6O2/c1-3-4-11(17-2)15-12(9-20-22-15)21-16(23)14-6-5-13(24-14)10-7-18-19-8-10/h3-9H,1-2H2,(H,18,19)(H,20,22)(H,21,23)/b11-4-
InChIKeyOCGDGILVZLRNJA-WCIBSUBMSA-N
XLogP2.87
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 168890484
N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
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ethane;N-[2-(4-fluoropiperidin-1-yl)-4-morpholin-4-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 142511623
N-(6-morpholin-4-yl-4-piperidin-1-yl-3-pyridinyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
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N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
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N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
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N-[3-(6-fluoro-2-pyridinyl)-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638611
N-cyclopropyl-3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxamide;formic acid
CID 175731569
N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638639
N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638571

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 145176609) is N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is C=C/C=C(\N=C)c1[nH]ncc1NC(=O)c1ccc(-c2cn[nH]c2)o1.
What is the InChIKey of N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is OCGDGILVZLRNJA-WCIBSUBMSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-3-4-11(17-2)15-12(9-20-22-15)21-16(23)14-6-5-13(24-14)10-7-18-19-8-10/h3-9H,1-2H2,(H,18,19)(H,20,22)(H,21,23)/b11-4-.
What are the key properties of N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]-1H-pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 145176609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).