3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide

C18H34N4O3S — CID 55956884

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide
SMILESCCN(CCCNC(=O)CCc1c(C)nn(CC(C)C)c1C)S(C)(=O)=O
InChIInChI=1S/C18H34N4O3S/c1-7-21(26(6,24)25)12-8-11-19-18(23)10-9-17-15(4)20-22(16(17)5)13-14(2)3/h14H,7-13H2,1-6H3,(H,19,23)
InChIKeyZHLNWXOZXVCDAX-UHFFFAOYSA-N
MW386.56 g/mol
LogP1.88
Rot. Bonds11

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide (PubChem CID 55956884) has the molecular formula C18H34N4O3S and a molecular weight of 386.56 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide
PubChem CID55956884
Molecular FormulaC18H34N4O3S
Molecular Weight386.56 g/mol
Exact Mass386.24
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide
SMILESCCN(CCCNC(=O)CCc1c(C)nn(CC(C)C)c1C)S(C)(=O)=O
InChIInChI=1S/C18H34N4O3S/c1-7-21(26(6,24)25)12-8-11-19-18(23)10-9-17-15(4)20-22(16(17)5)13-14(2)3/h14H,7-13H2,1-6H3,(H,19,23)
InChIKeyZHLNWXOZXVCDAX-UHFFFAOYSA-N
XLogP1.88
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817000
N-[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 45885370
N-[[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45885391
N-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 56779611
4,4,4-trifluoro-N-(2-sulfanylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 177679964
N-{(3S*,4R*)-4-propyl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-pyrrolidinyl}methanesulfonamide
CID 70709235
1-{3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91921428
8-[3-(1,3,5-Trimethylpyrazol-4-yl)propanoyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201632
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-sulfanylethyl)propanamide
CID 177679638
2-methyl-N-(2-sulfanylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 177679807
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-(2-sulfanylethyl)acetamide
CID 177679817
N-(2-oxo-3-piperidinyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 47478485

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide (CID 55956884) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide is CCN(CCCNC(=O)CCc1c(C)nn(CC(C)C)c1C)S(C)(=O)=O.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide?
The InChIKey is ZHLNWXOZXVCDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3S/c1-7-21(26(6,24)25)12-8-11-19-18(23)10-9-17-15(4)20-22(16(17)5)13-14(2)3/h14H,7-13H2,1-6H3,(H,19,23).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide has a molecular weight of 386.56 g/mol, XLogP of 1.88, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide is sourced from PubChem (CID 55956884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).