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

C14H21N3O3 — CID 104693313

IUPAC2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCn1nccc1CCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-17-10(7-9-16-17)6-8-15-13(18)11-4-2-3-5-12(11)14(19)20/h7,9,11-12H,2-6,8H2,1H3,(H,15,18)(H,19,20)
InChIKeyGSMUVROAEFVALS-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.97
Rot. Bonds5

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

2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 104693313) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID104693313
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCn1nccc1CCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-17-10(7-9-16-17)6-8-15-13(18)11-4-2-3-5-12(11)14(19)20/h7,9,11-12H,2-6,8H2,1H3,(H,15,18)(H,19,20)
InChIKeyGSMUVROAEFVALS-UHFFFAOYSA-N
XLogP0.97
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104693312
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
(2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492505
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
3-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 104693320
cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744621
2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 19616909
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazine-2-carboxamide
CID 103007240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 104693313) is 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is Cn1nccc1CCNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GSMUVROAEFVALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17-10(7-9-16-17)6-8-15-13(18)11-4-2-3-5-12(11)14(19)20/h7,9,11-12H,2-6,8H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104693313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).