N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide

C15H21N3OS — CID 86822216

IUPACN-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
SMILESCC(C)CC(NC(=O)CCn1cccn1)c1cccs1
InChIInChI=1S/C15H21N3OS/c1-12(2)11-13(14-5-3-10-20-14)17-15(19)6-9-18-8-4-7-16-18/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,17,19)
InChIKeyPWYJPXBSKRMYMK-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.24
Rot. Bonds7

About N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide

N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide (PubChem CID 86822216) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
PubChem CID86822216
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
SMILESCC(C)CC(NC(=O)CCn1cccn1)c1cccs1
InChIInChI=1S/C15H21N3OS/c1-12(2)11-13(14-5-3-10-20-14)17-15(19)6-9-18-8-4-7-16-18/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,17,19)
InChIKeyPWYJPXBSKRMYMK-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 28788895
2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 86834346
2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380788
2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 115283765
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 94814587
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
(3S)-5-methyl-3-[(3-pyrazol-1-ylpropanoylamino)methyl]hexanoic acid
CID 65493688
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide (CID 86822216) is N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide is CC(C)CC(NC(=O)CCn1cccn1)c1cccs1.
What is the InChIKey of N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is PWYJPXBSKRMYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12(2)11-13(14-5-3-10-20-14)17-15(19)6-9-18-8-4-7-16-18/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,17,19).
What are the key properties of N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide?
N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 291.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 86822216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).