5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide

C17H16ClN3O2 — CID 70717939

IUPAC5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)n(C)n1
InChIInChI=1S/C17H16ClN3O2/c1-11-9-12(21(2)20-11)10-19-17(22)16-8-7-15(23-16)13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyWRZDDMGBYIMTSO-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.57
Rot. Bonds4

About 5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 70717939) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide
PubChem CID70717939
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)n(C)n1
InChIInChI=1S/C17H16ClN3O2/c1-11-9-12(21(2)20-11)10-19-17(22)16-8-7-15(23-16)13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyWRZDDMGBYIMTSO-UHFFFAOYSA-N
XLogP3.57
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Uprosertib
CID 51042438
Furan-2-carboxamide deriv., 7
CID 44236894
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid
CID 4695206
N-(1-Amino-3-(3,4-difluorophenyl)propan-2-yl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide
CID 75605138
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 57826757
2-[1-[[4-(1-Benzofuran-2-carbonylamino)-2-chlorophenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 59054506
N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953
2-((Furan-2-ylmethyl)amino)-2-oxoethyl 5-chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazole-4-carboxylate
CID 2571609
N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[(phenylamino)methyl]furan-2-carbohydrazide
CID 6886420
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 20876954

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide (CID 70717939) is 5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide is Cc1cc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)n(C)n1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is WRZDDMGBYIMTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11-9-12(21(2)20-11)10-19-17(22)16-8-7-15(23-16)13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of 5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 70717939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).