N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide

C20H27N3O — CID 42731406

IUPACN-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCC2)c1C
InChIInChI=1S/C20H27N3O/c1-13-8-6-11-16(14(13)2)23-18(12-17(22-23)20(3,4)5)21-19(24)15-9-7-10-15/h6,8,11-12,15H,7,9-10H2,1-5H3,(H,21,24)
InChIKeyWRUDYUTUQAUDSX-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.53
Rot. Bonds3

About N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide

N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide (PubChem CID 42731406) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide
PubChem CID42731406
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCC2)c1C
InChIInChI=1S/C20H27N3O/c1-13-8-6-11-16(14(13)2)23-18(12-17(22-23)20(3,4)5)21-19(24)15-9-7-10-15/h6,8,11-12,15H,7,9-10H2,1-5H3,(H,21,24)
InChIKeyWRUDYUTUQAUDSX-UHFFFAOYSA-N
XLogP4.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 42731375
(E)-N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-3-phenylprop-2-enamide
CID 42731413
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2-[dimethylcarbamoyl(propyl)amino]acetamide
CID 1062337
N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 136636609
4-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55763854
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 112830966
(2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide
CID 1060811
N-[3-tert-butyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 136636935
N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-2,2-dimethyl-N-propylpropanamide
CID 4314731
(3R)-N-[3-tert-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 31037563
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
CID 42735621
N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42740865

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide (CID 42731406) is N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide is Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C2CCC2)c1C.
What is the InChIKey of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide?
The InChIKey is WRUDYUTUQAUDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13-8-6-11-16(14(13)2)23-18(12-17(22-23)20(3,4)5)21-19(24)15-9-7-10-15/h6,8,11-12,15H,7,9-10H2,1-5H3,(H,21,24).
What are the key properties of N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide?
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 42731406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).