2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid

C11H18N4O3 — CID 113364525

IUPAC2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NC(C)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-4-9(10(16)17)15-11(18)14-7(2)8-5-12-13-6-8/h5-7,9H,3-4H2,1-2H3,(H,12,13)(H,16,17)(H2,14,15,18)
InChIKeyXASIAGDLBNLLGS-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.02
Rot. Bonds6

About 2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid

2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid (PubChem CID 113364525) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
PubChem CID113364525
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)NC(C)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-4-9(10(16)17)15-11(18)14-7(2)8-5-12-13-6-8/h5-7,9H,3-4H2,1-2H3,(H,12,13)(H,16,17)(H2,14,15,18)
InChIKeyXASIAGDLBNLLGS-UHFFFAOYSA-N
XLogP1.02
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
3-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114159367
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212884
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
(2S)-2-[1-(4-methylphenyl)ethylcarbamoylamino]hexanoic acid
CID 107145758
2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106213470
4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 106215800
4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid
CID 106215523
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566523

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid (CID 113364525) is 2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid is CCCC(NC(=O)NC(C)c1cn[nH]c1)C(=O)O.
What is the InChIKey of 2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is XASIAGDLBNLLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-4-9(10(16)17)15-11(18)14-7(2)8-5-12-13-6-8/h5-7,9H,3-4H2,1-2H3,(H,12,13)(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid?
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 113364525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).