3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide

C16H14ClN3O2 — CID 71797298

IUPAC3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
SMILESCn1nc(CNC(=O)c2cccc(Cl)c2)cc1-c1ccco1
InChIInChI=1S/C16H14ClN3O2/c1-20-14(15-6-3-7-22-15)9-13(19-20)10-18-16(21)11-4-2-5-12(17)8-11/h2-9H,10H2,1H3,(H,18,21)
InChIKeyRVSBHMHLYOEVOF-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.26
Rot. Bonds4

About 3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide

3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide (PubChem CID 71797298) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
PubChem CID71797298
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
SMILESCn1nc(CNC(=O)c2cccc(Cl)c2)cc1-c1ccco1
InChIInChI=1S/C16H14ClN3O2/c1-20-14(15-6-3-7-22-15)9-13(19-20)10-18-16(21)11-4-2-5-12(17)8-11/h2-9H,10H2,1H3,(H,18,21)
InChIKeyRVSBHMHLYOEVOF-UHFFFAOYSA-N
XLogP3.26
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]pyridine-3-carboxamide
CID 71797285
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71797295
(E)-3-(2-chlorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]prop-2-enamide
CID 71797314
2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide
CID 71797324
3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198851
3-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 71797339
N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide
CID 129176759
2-benzylsulfanyl-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]acetamide
CID 71797311
(E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 71797297
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]propan-2-amine
CID 95732772
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 25333179
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 90555037

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide (CID 71797298) is 3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide is Cn1nc(CNC(=O)c2cccc(Cl)c2)cc1-c1ccco1.
What is the InChIKey of 3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide?
The InChIKey is RVSBHMHLYOEVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-20-14(15-6-3-7-22-15)9-13(19-20)10-18-16(21)11-4-2-5-12(17)8-11/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide?
3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide has a molecular weight of 315.76 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide is sourced from PubChem (CID 71797298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).