3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide

C22H31N3O — CID 51273239

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C22H31N3O/c1-16(2)15-25-18(4)20(17(3)24-25)11-12-21(26)23-22(13-8-14-22)19-9-6-5-7-10-19/h5-7,9-10,16H,8,11-15H2,1-4H3,(H,23,26)
InChIKeyCBJORYJFQTWTFG-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.28
Rot. Bonds7

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide (PubChem CID 51273239) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide
PubChem CID51273239
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C22H31N3O/c1-16(2)15-25-18(4)20(17(3)24-25)11-12-21(26)23-22(13-8-14-22)19-9-6-5-7-10-19/h5-7,9-10,16H,8,11-15H2,1-4H3,(H,23,26)
InChIKeyCBJORYJFQTWTFG-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 43021005
2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-2-phenylbutanoic acid
CID 119201652
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(N-methylanilino)ethyl]propanamide
CID 31688293
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
2-chloro-N-[2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]ethyl]benzamide
CID 39112466
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 111486135
N-[2-(difluoromethoxy)phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37314274
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 38218916
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide
CID 52553690
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(2-nitrophenyl)methyl]propanamide
CID 55798683

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide (CID 51273239) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1(c2ccccc2)CCC1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide?
The InChIKey is CBJORYJFQTWTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-16(2)15-25-18(4)20(17(3)24-25)11-12-21(26)23-22(13-8-14-22)19-9-6-5-7-10-19/h5-7,9-10,16H,8,11-15H2,1-4H3,(H,23,26).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide has a molecular weight of 353.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide is sourced from PubChem (CID 51273239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).