1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid

C13H20N4O3 — CID 61461432

IUPAC1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCn1cccn1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H20N4O3/c18-11(19)13(5-2-1-3-6-13)16-12(20)14-8-10-17-9-4-7-15-17/h4,7,9H,1-3,5-6,8,10H2,(H,18,19)(H2,14,16,20)
InChIKeyJWVUMNASXCYCGV-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.97
Rot. Bonds5

About 1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid

1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61461432) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID61461432
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCCn1cccn1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H20N4O3/c18-11(19)13(5-2-1-3-6-13)16-12(20)14-8-10-17-9-4-7-15-17/h4,7,9H,1-3,5-6,8,10H2,(H,18,19)(H2,14,16,20)
InChIKeyJWVUMNASXCYCGV-UHFFFAOYSA-N
XLogP0.97
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096262
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646
2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
CID 61459546
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
2-(1-aminocyclopentyl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 64677819
2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 104678011
N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 125431920
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 80689093
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163045

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 61461432) is 1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCCn1cccn1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is JWVUMNASXCYCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c18-11(19)13(5-2-1-3-6-13)16-12(20)14-8-10-17-9-4-7-15-17/h4,7,9H,1-3,5-6,8,10H2,(H,18,19)(H2,14,16,20).
What are the key properties of 1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid?
1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61461432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).