4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid

C13H22N4O3 — CID 106215523

IUPAC4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid
SMILESCC(CCNC(=O)NC(C)c1cn[nH]c1)CCC(=O)O
InChIInChI=1S/C13H22N4O3/c1-9(3-4-12(18)19)5-6-14-13(20)17-10(2)11-7-15-16-8-11/h7-10H,3-6H2,1-2H3,(H,15,16)(H,18,19)(H2,14,17,20)
InChIKeySLFRIWLNMQIOOI-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.66
Rot. Bonds8

About 4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid

4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid (PubChem CID 106215523) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid
PubChem CID106215523
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid
SMILESCC(CCNC(=O)NC(C)c1cn[nH]c1)CCC(=O)O
InChIInChI=1S/C13H22N4O3/c1-9(3-4-12(18)19)5-6-14-13(20)17-10(2)11-7-15-16-8-11/h7-10H,3-6H2,1-2H3,(H,15,16)(H,18,19)(H2,14,17,20)
InChIKeySLFRIWLNMQIOOI-UHFFFAOYSA-N
XLogP1.66
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 106215666
3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106215570
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 113364525
4,4-dimethyl-2-[[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 106215800
4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 82014749
3,6-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]benzoic acid
CID 106208660
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114159367
3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 61198838
3-(cyclopropylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212808
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106215471
3-(1H-pyrazol-4-yl)butanoic acid
CID 82595364

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid?
The IUPAC name of 4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid (CID 106215523) is 4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid is CC(CCNC(=O)NC(C)c1cn[nH]c1)CCC(=O)O.
What is the InChIKey of 4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid?
The InChIKey is SLFRIWLNMQIOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9(3-4-12(18)19)5-6-14-13(20)17-10(2)11-7-15-16-8-11/h7-10H,3-6H2,1-2H3,(H,15,16)(H,18,19)(H2,14,17,20).
What are the key properties of 4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid?
4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.66, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 106215523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).