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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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).