N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide

C21H18ClN5O — CID 141484730

IUPACN-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(-c2cccc(Cl)c2)n1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C21H18ClN5O/c22-18-8-4-7-17(11-18)20-9-10-26(25-20)15-21(28)24-19-12-23-27(14-19)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,24,28)
InChIKeyRBWROVXEUDONDC-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.09
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide

N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide (PubChem CID 141484730) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide
PubChem CID141484730
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(-c2cccc(Cl)c2)n1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C21H18ClN5O/c22-18-8-4-7-17(11-18)20-9-10-26(25-20)15-21(28)24-19-12-23-27(14-19)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,24,28)
InChIKeyRBWROVXEUDONDC-UHFFFAOYSA-N
XLogP4.09
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide (CID 141484730) is N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(-c2cccc(Cl)c2)n1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide?
The InChIKey is RBWROVXEUDONDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c22-18-8-4-7-17(11-18)20-9-10-26(25-20)15-21(28)24-19-12-23-27(14-19)13-16-5-2-1-3-6-16/h1-12,14H,13,15H2,(H,24,28).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide?
N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide has a molecular weight of 391.86 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-[3-(3-chlorophenyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 141484730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).