3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

C14H22N4O3 — CID 106105963

IUPAC3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCn1ccc(CCNC(=O)NC2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C14H22N4O3/c1-18-8-6-11(17-18)5-7-15-14(21)16-12-4-2-3-10(9-12)13(19)20/h6,8,10,12H,2-5,7,9H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyFZVLOIIWRTZGAA-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.91
Rot. Bonds5

About 3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 106105963) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID106105963
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCn1ccc(CCNC(=O)NC2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C14H22N4O3/c1-18-8-6-11(17-18)5-7-15-14(21)16-12-4-2-3-10(9-12)13(19)20/h6,8,10,12H,2-5,7,9H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyFZVLOIIWRTZGAA-UHFFFAOYSA-N
XLogP0.91
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044448
1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea
CID 127864776
3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63825588
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 82872608
cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106106000
4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106104133
(1S,6R)-6-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106104130
3-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042310
3-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106039971
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 82873513
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106106029

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 106105963) is 3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is Cn1ccc(CCNC(=O)NC2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FZVLOIIWRTZGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-18-8-6-11(17-18)5-7-15-14(21)16-12-4-2-3-10(9-12)13(19)20/h6,8,10,12H,2-5,7,9H2,1H3,(H,19,20)(H2,15,16,21).
What are the key properties of 3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106105963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).