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

C14H21N3O3 — CID 19616909

IUPAC2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccnn1C)C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-16(9-10-7-8-15-17(10)2)13(18)11-5-3-4-6-12(11)14(19)20/h7-8,11-12H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyJSBKGRYQOYTEGU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.27
Rot. Bonds4

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

2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 19616909) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID19616909
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccnn1C)C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-16(9-10-7-8-15-17(10)2)13(18)11-5-3-4-6-12(11)14(19)20/h7-8,11-12H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyJSBKGRYQOYTEGU-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 19616909) is 2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid is CN(Cc1ccnn1C)C(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JSBKGRYQOYTEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16(9-10-7-8-15-17(10)2)13(18)11-5-3-4-6-12(11)14(19)20/h7-8,11-12H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19616909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).