3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C22H31N3O — CID 43021005

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C22H31N3O/c1-15(2)14-25-17(4)19(16(3)24-25)12-13-22(26)23-21-11-7-9-18-8-5-6-10-20(18)21/h7,9,11,15H,5-6,8,10,12-14H2,1-4H3,(H,23,26)
InChIKeyUTEZGTFFIAOAMX-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.61
Rot. Bonds6

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 43021005) 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-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
PubChem CID43021005
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C22H31N3O/c1-15(2)14-25-17(4)19(16(3)24-25)12-13-22(26)23-21-11-7-9-18-8-5-6-10-20(18)21/h7,9,11,15H,5-6,8,10,12-14H2,1-4H3,(H,23,26)
InChIKeyUTEZGTFFIAOAMX-UHFFFAOYSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
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-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 120568461
N-(2,4-dichlorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 24502572
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 33040554
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylcyclobutyl)propanamide
CID 51273239
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 112827777
4-chloro-2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807538
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 55749074

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 43021005) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is UTEZGTFFIAOAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-15(2)14-25-17(4)19(16(3)24-25)12-13-22(26)23-21-11-7-9-18-8-5-6-10-20(18)21/h7,9,11,15H,5-6,8,10,12-14H2,1-4H3,(H,23,26).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 353.51 g/mol, XLogP of 4.61, 6 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-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 43021005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).