2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 120545480

IUPAC2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nccc1C(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-13(7-4-3-5-9(13)12(18)19)15-11(17)10-6-8-14-16(10)2/h6,8-9H,3-5,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFRZGZHTURXAVIS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds3

About 2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid

2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120545480) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120545480
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nccc1C(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-13(7-4-3-5-9(13)12(18)19)15-11(17)10-6-8-14-16(10)2/h6,8-9H,3-5,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFRZGZHTURXAVIS-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120545480) is 2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1nccc1C(=O)NC1(C)CCCCC1C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FRZGZHTURXAVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(7-4-3-5-9(13)12(18)19)15-11(17)10-6-8-14-16(10)2/h6,8-9H,3-5,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).