2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide

C13H24N4OS — CID 64702917

IUPAC2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)Sc1cnn(C)c1)C(N)=O
InChIInChI=1S/C13H24N4OS/c1-5-6-15-13(3,12(14)18)7-10(2)19-11-8-16-17(4)9-11/h8-10,15H,5-7H2,1-4H3,(H2,14,18)
InChIKeyOQVZATIPNBZBPJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.53
Rot. Bonds8

About 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide

2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide (PubChem CID 64702917) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
PubChem CID64702917
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)Sc1cnn(C)c1)C(N)=O
InChIInChI=1S/C13H24N4OS/c1-5-6-15-13(3,12(14)18)7-10(2)19-11-8-16-17(4)9-11/h8-10,15H,5-7H2,1-4H3,(H2,14,18)
InChIKeyOQVZATIPNBZBPJ-UHFFFAOYSA-N
XLogP1.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanoate
CID 64703505
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64818569
2-methyl-2-(methylamino)-4-(1-methylpyrazol-4-yl)sulfanylpentanoic acid
CID 64705302
methyl 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propan-2-ylamino)pentanoate
CID 64703307
4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64712171
methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylpyrazol-4-yl)sulfanylpentanoate
CID 64705687
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
CID 64709561
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 102925681
4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64710629
4-[(3-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 64703758
2-methyl-2-(propylamino)-4-propylsulfanylpentanamide
CID 64711997
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide
CID 64711254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide?
The IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide (CID 64702917) is 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide.
What is the SMILES notation for 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide?
The canonical SMILES for 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide is CCCNC(C)(CC(C)Sc1cnn(C)c1)C(N)=O.
What is the InChIKey of 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide?
The InChIKey is OQVZATIPNBZBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-5-6-15-13(3,12(14)18)7-10(2)19-11-8-16-17(4)9-11/h8-10,15H,5-7H2,1-4H3,(H2,14,18).
What are the key properties of 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide?
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide has a molecular weight of 284.43 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide is sourced from PubChem (CID 64702917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).