N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide

C17H19N3O — CID 172896082

IUPACN-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide
SMILESC=CC(=O)NC1(c2ccc(-c3cc(C)[nH]n3)cc2)CCC1
InChIInChI=1S/C17H19N3O/c1-3-16(21)18-17(9-4-10-17)14-7-5-13(6-8-14)15-11-12(2)19-20-15/h3,5-8,11H,1,4,9-10H2,2H3,(H,18,21)(H,19,20)
InChIKeySQRBKZPEOPVWNG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.07
Rot. Bonds4

About N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide

N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide (PubChem CID 172896082) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide
PubChem CID172896082
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide
SMILESC=CC(=O)NC1(c2ccc(-c3cc(C)[nH]n3)cc2)CCC1
InChIInChI=1S/C17H19N3O/c1-3-16(21)18-17(9-4-10-17)14-7-5-13(6-8-14)15-11-12(2)19-20-15/h3,5-8,11H,1,4,9-10H2,2H3,(H,18,21)(H,19,20)
InChIKeySQRBKZPEOPVWNG-UHFFFAOYSA-N
XLogP3.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorophenyl)cyclopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484321
methyl 4-(5-methyl-1H-pyrazol-3-yl)benzoate
CID 21023715
N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide
CID 146095271
(E)-N-(1-phenylcyclobutyl)but-2-enamide
CID 110478044
ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 144864305
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
N-[1-(4-fluorophenyl)cyclobutyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 71885526
N-[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]prop-2-enamide
CID 166428308
1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea
CID 110469873
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide?
The IUPAC name of N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide (CID 172896082) is N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide.
What is the SMILES notation for N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide?
The canonical SMILES for N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide is C=CC(=O)NC1(c2ccc(-c3cc(C)[nH]n3)cc2)CCC1.
What is the InChIKey of N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide?
The InChIKey is SQRBKZPEOPVWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-16(21)18-17(9-4-10-17)14-7-5-13(6-8-14)15-11-12(2)19-20-15/h3,5-8,11H,1,4,9-10H2,2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide?
N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]cyclobutyl]prop-2-enamide is sourced from PubChem (CID 172896082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).