N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide

C10H13N3O — CID 114390009

IUPACN-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
SMILESC#CC(C)NC(=O)CCn1cccn1
InChIInChI=1S/C10H13N3O/c1-3-9(2)12-10(14)5-8-13-7-4-6-11-13/h1,4,6-7,9H,5,8H2,2H3,(H,12,14)
InChIKeyFAYKIPKMSRIOKN-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.41
Rot. Bonds4

About N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide

N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide (PubChem CID 114390009) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
PubChem CID114390009
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
SMILESC#CC(C)NC(=O)CCn1cccn1
InChIInChI=1S/C10H13N3O/c1-3-9(2)12-10(14)5-8-13-7-4-6-11-13/h1,4,6-7,9H,5,8H2,2H3,(H,12,14)
InChIKeyFAYKIPKMSRIOKN-UHFFFAOYSA-N
XLogP0.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-yn-2-yl-3-(triazol-1-yl)propanamide
CID 114389728
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
CID 43623190
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
(2S)-3-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 61172899
(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 28788895
(2R)-3,3-dimethyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 113353064
2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
CID 65285915
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952
2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380788
3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60912135
3-pyrazol-1-yl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977172

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide (CID 114390009) is N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide is C#CC(C)NC(=O)CCn1cccn1.
What is the InChIKey of N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide?
The InChIKey is FAYKIPKMSRIOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-9(2)12-10(14)5-8-13-7-4-6-11-13/h1,4,6-7,9H,5,8H2,2H3,(H,12,14).
What are the key properties of N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide?
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide has a molecular weight of 191.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 114390009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).