N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide

C18H24ClN3O — CID 142658870

IUPACN-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1c(Cl)c(CC)nn1C
InChIInChI=1S/C18H24ClN3O/c1-4-6-12-22(13-14-10-8-7-9-11-14)18(23)17-16(19)15(5-2)20-21(17)3/h7-11H,4-6,12-13H2,1-3H3
InChIKeyPRQAQOOCZAZHCB-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.08
Rot. Bonds7

About N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide

N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 142658870) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID142658870
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1c(Cl)c(CC)nn1C
InChIInChI=1S/C18H24ClN3O/c1-4-6-12-22(13-14-10-8-7-9-11-14)18(23)17-16(19)15(5-2)20-21(17)3/h7-11H,4-6,12-13H2,1-3H3
InChIKeyPRQAQOOCZAZHCB-UHFFFAOYSA-N
XLogP4.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzyl-N-butylthiadiazole-4-carboxamide
CID 42789403
N-benzyl-1-butyl-N-(2-hydroxyethyl)-3-methylindole-2-carboxamide
CID 110498707
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
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N-benzyl-2-bromo-N-hexylacetamide
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N-benzyl-N-octylpyridine-2-carboxamide
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4-chloro-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 167807265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide (CID 142658870) is N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide is CCCCN(Cc1ccccc1)C(=O)c1c(Cl)c(CC)nn1C.
What is the InChIKey of N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is PRQAQOOCZAZHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-4-6-12-22(13-14-10-8-7-9-11-14)18(23)17-16(19)15(5-2)20-21(17)3/h7-11H,4-6,12-13H2,1-3H3.
What are the key properties of N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide?
N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 333.86 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 142658870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).