2-(1H-pyrazole-4-carbonylamino)pentanoic acid

C9H13N3O3 — CID 43630232

IUPAC2-(1H-pyrazole-4-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-2-3-7(9(14)15)12-8(13)6-4-10-11-5-6/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyTWVKBSKPDPDELB-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.39
Rot. Bonds5

About 2-(1H-pyrazole-4-carbonylamino)pentanoic acid

2-(1H-pyrazole-4-carbonylamino)pentanoic acid (PubChem CID 43630232) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(1H-pyrazole-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(1H-pyrazole-4-carbonylamino)pentanoic acid
PubChem CID43630232
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(1H-pyrazole-4-carbonylamino)pentanoic acid
SMILESCCCC(NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-2-3-7(9(14)15)12-8(13)6-4-10-11-5-6/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyTWVKBSKPDPDELB-UHFFFAOYSA-N
XLogP0.39
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
The IUPAC name of 2-(1H-pyrazole-4-carbonylamino)pentanoic acid (CID 43630232) is 2-(1H-pyrazole-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
The canonical SMILES for 2-(1H-pyrazole-4-carbonylamino)pentanoic acid is CCCC(NC(=O)c1cn[nH]c1)C(=O)O.
What is the InChIKey of 2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
The InChIKey is TWVKBSKPDPDELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-3-7(9(14)15)12-8(13)6-4-10-11-5-6/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
2-(1H-pyrazole-4-carbonylamino)pentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazole-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 43630232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).