(2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C22H31N3O — CID 97065139

IUPAC(2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C
InChIInChI=1S/C22H31N3O/c1-14(13-19-15(2)24-25(6)16(19)3)21(26)23-20-18-10-8-7-9-17(18)11-12-22(20,4)5/h7-10,14,20H,11-13H2,1-6H3,(H,23,26)/t14-,20-/m1/s1
InChIKeyDKNKBEGMDURAME-JLTOFOAXSA-N
MW353.51 g/mol
LogP4.05
Rot. Bonds4

About (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 97065139) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID97065139
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name(2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C
InChIInChI=1S/C22H31N3O/c1-14(13-19-15(2)24-25(6)16(19)3)21(26)23-20-18-10-8-7-9-17(18)11-12-22(20,4)5/h7-10,14,20H,11-13H2,1-6H3,(H,23,26)/t14-,20-/m1/s1
InChIKeyDKNKBEGMDURAME-JLTOFOAXSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-methyl-N-(1-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95778785
2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine
CID 82798114
N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119612567
N-(2-amino-2-phenylethyl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 119529693
2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120555639
1-[2-(2-methylphenyl)cyclopropyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 84585038
2-cyclopropyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 119213844
2-methyl-N-(3-methylpiperidin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120555638
(2R)-N'-[2-(1-adamantyl)acetyl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 95777128
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate
CID 115531954
3-methyl-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119170294

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 97065139) is (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C.
What is the InChIKey of (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is DKNKBEGMDURAME-JLTOFOAXSA-N. The full InChI is InChI=1S/C22H31N3O/c1-14(13-19-15(2)24-25(6)16(19)3)21(26)23-20-18-10-8-7-9-17(18)11-12-22(20,4)5/h7-10,14,20H,11-13H2,1-6H3,(H,23,26)/t14-,20-/m1/s1.
What are the key properties of (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 353.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 97065139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).