N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C16H13ClN4O2 — CID 6885583

IUPACN-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)n[nH]1
InChIInChI=1S/C16H13ClN4O2/c1-10-8-14(20-19-10)16(22)21-18-9-11-6-7-15(23-11)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9+
InChIKeyHGDVHJGETZQTHS-GIJQJNRQSA-N
MW328.76 g/mol
LogP3.40
Rot. Bonds4

About N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 6885583) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID6885583
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)n[nH]1
InChIInChI=1S/C16H13ClN4O2/c1-10-8-14(20-19-10)16(22)21-18-9-11-6-7-15(23-11)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9+
InChIKeyHGDVHJGETZQTHS-GIJQJNRQSA-N
XLogP3.40
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5343127
5-(5-methylfuran-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6146666
3-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582
N'-{[5-(2,3-dichlorophenyl)-2-furyl]methylene}-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5344288
N-[(4-chlorobenzylidene)amino]-5-(5-methyl-2-furyl)-1H-pyrazole-3-carboxamide
CID 6862391
(E)-3-methyl-N'-((5-(3-nitrophenyl)furan-2-yl)methylene)-1H-pyrazole-5-carbohydrazide
CID 6882215
N'-{(E)-[5-(3-bromophenyl)furan-2-yl]methylidene}-3-methyl-1H-pyrazole-5-carbohydrazide
CID 6885502
[4-bromo-2-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 9590232
N'-[(1E,2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 9692483
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 1554015
N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6862336
N-[(E)-(4-fluorophenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6862379

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 6885583) is N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)n[nH]1.
What is the InChIKey of N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is HGDVHJGETZQTHS-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-10-8-14(20-19-10)16(22)21-18-9-11-6-7-15(23-11)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)(H,21,22)/b18-9+.
What are the key properties of N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6885583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).