1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide

C18H23N3O — CID 138995921

IUPAC1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide
SMILESCCc1[nH]nc(NC(=O)C2(Cc3ccccc3)CCC2)c1C
InChIInChI=1S/C18H23N3O/c1-3-15-13(2)16(21-20-15)19-17(22)18(10-7-11-18)12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyCSOVBNKIIOMLAM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.63
Rot. Bonds5

About 1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide

1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide (PubChem CID 138995921) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide
PubChem CID138995921
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide
SMILESCCc1[nH]nc(NC(=O)C2(Cc3ccccc3)CCC2)c1C
InChIInChI=1S/C18H23N3O/c1-3-15-13(2)16(21-20-15)19-17(22)18(10-7-11-18)12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyCSOVBNKIIOMLAM-UHFFFAOYSA-N
XLogP3.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide (CID 138995921) is 1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide is CCc1[nH]nc(NC(=O)C2(Cc3ccccc3)CCC2)c1C.
What is the InChIKey of 1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide?
The InChIKey is CSOVBNKIIOMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-15-13(2)16(21-20-15)19-17(22)18(10-7-11-18)12-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide?
1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 138995921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).