5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid

C11H18N4O3 — CID 106215666

IUPAC5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
SMILESCC(NC(=O)NCCCCC(=O)O)c1cn[nH]c1
InChIInChI=1S/C11H18N4O3/c1-8(9-6-13-14-7-9)15-11(18)12-5-3-2-4-10(16)17/h6-8H,2-5H2,1H3,(H,13,14)(H,16,17)(H2,12,15,18)
InChIKeyAPHUIDLFOPPVOR-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.02
Rot. Bonds7

About 5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid

5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid (PubChem CID 106215666) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
PubChem CID106215666
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
SMILESCC(NC(=O)NCCCCC(=O)O)c1cn[nH]c1
InChIInChI=1S/C11H18N4O3/c1-8(9-6-13-14-7-9)15-11(18)12-5-3-2-4-10(16)17/h6-8H,2-5H2,1H3,(H,13,14)(H,16,17)(H2,12,15,18)
InChIKeyAPHUIDLFOPPVOR-UHFFFAOYSA-N
XLogP1.02
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid
CID 106215523
3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106215570
6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid
CID 61209750
4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 106215800
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107
4-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]carbamoylamino]butanoic acid
CID 122011640
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114159367
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 113364525

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid (CID 106215666) is 5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid is CC(NC(=O)NCCCCC(=O)O)c1cn[nH]c1.
What is the InChIKey of 5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is APHUIDLFOPPVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(9-6-13-14-7-9)15-11(18)12-5-3-2-4-10(16)17/h6-8H,2-5H2,1H3,(H,13,14)(H,16,17)(H2,12,15,18).
What are the key properties of 5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid?
5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 106215666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).