N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide

C18H23N3O — CID 110717356

IUPACN-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCNC(=O)C1CCC1
InChIInChI=1S/C18H23N3O/c1-13-17(11-12-19-18(22)15-7-6-8-15)14(2)21(20-13)16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-12H2,1-2H3,(H,19,22)
InChIKeyNFMDNIWSLONIBE-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide

N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide (PubChem CID 110717356) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
PubChem CID110717356
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCNC(=O)C1CCC1
InChIInChI=1S/C18H23N3O/c1-13-17(11-12-19-18(22)15-7-6-8-15)14(2)21(20-13)16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-12H2,1-2H3,(H,19,22)
InChIKeyNFMDNIWSLONIBE-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
CID 110747761
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide
CID 9327240
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24549009
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-N-propylpiperidine-3-carboxamide
CID 49401979
N-[2-(diethylamino)ethyl]-1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 20892763
(3R)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 40953010
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55963310
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779183
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699804

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide (CID 110717356) is N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide is Cc1nn(-c2ccccc2)c(C)c1CCNC(=O)C1CCC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is NFMDNIWSLONIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-17(11-12-19-18(22)15-7-6-8-15)14(2)21(20-13)16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide?
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 110717356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).