2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid

C13H17N5O3 — CID 19494063

IUPAC2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid
SMILESCC(Cn1cccn1)NC(=O)CCn1nccc1C(=O)O
InChIInChI=1S/C13H17N5O3/c1-10(9-17-7-2-5-14-17)16-12(19)4-8-18-11(13(20)21)3-6-15-18/h2-3,5-7,10H,4,8-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyFYAAHVGELDKKGF-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.37
Rot. Bonds7

About 2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid

2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid (PubChem CID 19494063) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid
PubChem CID19494063
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid
SMILESCC(Cn1cccn1)NC(=O)CCn1nccc1C(=O)O
InChIInChI=1S/C13H17N5O3/c1-10(9-17-7-2-5-14-17)16-12(19)4-8-18-11(13(20)21)3-6-15-18/h2-3,5-7,10H,4,8-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyFYAAHVGELDKKGF-UHFFFAOYSA-N
XLogP0.37
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid (CID 19494063) is 2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid is CC(Cn1cccn1)NC(=O)CCn1nccc1C(=O)O.
What is the InChIKey of 2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid?
The InChIKey is FYAAHVGELDKKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-10(9-17-7-2-5-14-17)16-12(19)4-8-18-11(13(20)21)3-6-15-18/h2-3,5-7,10H,4,8-9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid?
2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(1-pyrazol-1-ylpropan-2-ylamino)propyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19494063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).