5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide

C17H16ClN3O2 — CID 1225417

IUPAC5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C)c1
InChIInChI=1S/C17H16ClN3O2/c1-11-3-5-15(12(2)7-11)20-17(22)16-6-4-14(23-16)10-21-9-13(18)8-19-21/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyJVFJDPOIFJJDQP-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.05
Rot. Bonds4

About 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide

5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide (PubChem CID 1225417) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
PubChem CID1225417
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C)c1
InChIInChI=1S/C17H16ClN3O2/c1-11-3-5-15(12(2)7-11)20-17(22)16-6-4-14(23-16)10-21-9-13(18)8-19-21/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyJVFJDPOIFJJDQP-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Furan-2-carboxamide deriv., 7
CID 44236894
Furan-2-carboxamide deriv., 8
CID 44236895
5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1022956
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-4-ylmethylideneamino]furan-2-carboxamide
CID 6874517
N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
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
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-furamide
CID 2193059
methyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
CID 3153926
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-[4-(dimethylamino)benzylidene]-2-furohydrazide
CID 6874059
N-[3-(N-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}ethanehydrazonoyl)phenyl]-2-methylpropanamide
CID 9617645
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24791124

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide (CID 1225417) is 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C)c1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide?
The InChIKey is JVFJDPOIFJJDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11-3-5-15(12(2)7-11)20-17(22)16-6-4-14(23-16)10-21-9-13(18)8-19-21/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide?
5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1225417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).