5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid

C12H19N3O3 — CID 82854624

IUPAC5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)CCn1cccn1
InChIInChI=1S/C12H19N3O3/c1-10(4-2-5-12(17)18)14-11(16)6-9-15-8-3-7-13-15/h3,7-8,10H,2,4-6,9H2,1H3,(H,14,16)(H,17,18)
InChIKeyHZMMDQATBQPESM-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.03
Rot. Bonds8

About 5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid

5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid (PubChem CID 82854624) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
PubChem CID82854624
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)CCn1cccn1
InChIInChI=1S/C12H19N3O3/c1-10(4-2-5-12(17)18)14-11(16)6-9-15-8-3-7-13-15/h3,7-8,10H,2,4-6,9H2,1H3,(H,14,16)(H,17,18)
InChIKeyHZMMDQATBQPESM-UHFFFAOYSA-N
XLogP1.03
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
CID 65285915
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
(2S)-3-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 61172899
(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 28788895
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
(2R)-3,3-dimethyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 113353064
5-[[2-(triazol-1-yl)acetyl]amino]hexanoic acid
CID 82855163
methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
CID 43623190
9-pyrazol-1-ylnonanoic acid;hydrate
CID 67940849
N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 97087813
4-methylsulfonyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43102610
(3S)-5-methyl-3-[(3-pyrazol-1-ylpropanoylamino)methyl]hexanoic acid
CID 65493688

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid?
The IUPAC name of 5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid (CID 82854624) is 5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid.
What is the SMILES notation for 5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid?
The canonical SMILES for 5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)CCn1cccn1.
What is the InChIKey of 5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid?
The InChIKey is HZMMDQATBQPESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-10(4-2-5-12(17)18)14-11(16)6-9-15-8-3-7-13-15/h3,7-8,10H,2,4-6,9H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid?
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid is sourced from PubChem (CID 82854624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).