1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide

C17H16ClN3O2 — CID 2563157

IUPAC1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccco1
InChIInChI=1S/C17H16ClN3O2/c1-12-15(17(22)19-10-14-8-5-9-23-14)16(18)21(20-12)11-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyARIFGYUBHVFFKY-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.42
Rot. Bonds5

About 1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide

1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide (PubChem CID 2563157) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
PubChem CID2563157
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccco1
InChIInChI=1S/C17H16ClN3O2/c1-12-15(17(22)19-10-14-8-5-9-23-14)16(18)21(20-12)11-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,22)
InChIKeyARIFGYUBHVFFKY-UHFFFAOYSA-N
XLogP3.42
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tolfenpyrad
CID 10110536
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2080105
2-((Furan-2-ylmethyl)amino)-2-oxoethyl 5-chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazole-4-carboxylate
CID 2571609
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
2-(5-Chloro-3-phenyl-1H-indazol-1-YL)-N-[(furan-2-YL)methyl]propanamide
CID 5309691
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2-furylmethyl)propanamide
CID 16022634
3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16192319
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 16301506
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 20876954
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-furylmethyl)acetamide
CID 2871628

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide (CID 2563157) is 1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccco1.
What is the InChIKey of 1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is ARIFGYUBHVFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-12-15(17(22)19-10-14-8-5-9-23-14)16(18)21(20-12)11-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,22).
What are the key properties of 1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 2563157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).