5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

C19H20ClN3O2 — CID 3240518

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-12-4-6-15(7-5-12)10-21-19(24)17-9-8-16(25-17)11-23-14(3)18(20)13(2)22-23/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyCRKPXCKCXNGEJK-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.03
Rot. Bonds5

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 3240518) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
PubChem CID3240518
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc1
InChIInChI=1S/C19H20ClN3O2/c1-12-4-6-15(7-5-12)10-21-19(24)17-9-8-16(25-17)11-23-14(3)18(20)13(2)22-23/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyCRKPXCKCXNGEJK-UHFFFAOYSA-N
XLogP4.03
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 931585
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(4-pyridinylmethylene)-2-furohydrazide
CID 6874517
N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
CID 1017805
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
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
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)-2-furamide
CID 831746
5-(4-Chloro-pyrazol-1-ylmethyl)-furan-2-carboxylic acid 4-methoxy-benzylamide
CID 892212
2-(4-{(E)-[2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)hydrazinylidene]methyl}-3-phenyl-1H-pyrazol-1-yl)acetamide
CID 9617630
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carboxamide
CID 57826757
N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide (CID 3240518) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc1.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is CRKPXCKCXNGEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-12-4-6-15(7-5-12)10-21-19(24)17-9-8-16(25-17)11-23-14(3)18(20)13(2)22-23/h4-9H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3240518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).