N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide

C12H21N3O — CID 45106808

IUPACN-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCn1ccc(C)n1
InChIInChI=1S/C12H21N3O/c1-5-12(3,4)13-11(16)7-9-15-8-6-10(2)14-15/h6,8H,5,7,9H2,1-4H3,(H,13,16)
InChIKeyWAUCQKVLXKBHBT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.89
Rot. Bonds5

About N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide

N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 45106808) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID45106808
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCn1ccc(C)n1
InChIInChI=1S/C12H21N3O/c1-5-12(3,4)13-11(16)7-9-15-8-6-10(2)14-15/h6,8H,5,7,9H2,1-4H3,(H,13,16)
InChIKeyWAUCQKVLXKBHBT-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(3-methylpyrazol-1-yl)propanamide
CID 19555712
3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19555789
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927
N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555733
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
N-[1-(4-methylphenyl)propyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555806
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide
CID 19323910
N-(3-methoxypropyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559507
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559526
N-(1,5-dimethylpyrazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555805
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555724
N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 91791894

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide (CID 45106808) is N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide is CCC(C)(C)NC(=O)CCn1ccc(C)n1.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is WAUCQKVLXKBHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-12(3,4)13-11(16)7-9-15-8-6-10(2)14-15/h6,8H,5,7,9H2,1-4H3,(H,13,16).
What are the key properties of N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 223.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 45106808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).