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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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
3,7,7-trimethyl-4-phenyl-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
CID 2763819
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
(2S)-2-amino-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330943
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
CID 5330969
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 5331003
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-fluorophenyl)phenyl]acetamide
CID 5331004
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methylphenyl)phenyl]acetamide
CID 5331005
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(naphthalen-1-yl)acetamide
CID 5331008
N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-2-phenylacetamide
CID 9857034

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).