2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 19620283

IUPAC2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCn1cc(CNC(=O)C2CCCCC2C(=O)O)cn1
InChIInChI=1S/C13H19N3O3/c1-16-8-9(7-15-16)6-14-12(17)10-4-2-3-5-11(10)13(18)19/h7-8,10-11H,2-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyCOVARFDIDWNVSA-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.93
Rot. Bonds4

About 2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 19620283) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID19620283
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCn1cc(CNC(=O)C2CCCCC2C(=O)O)cn1
InChIInChI=1S/C13H19N3O3/c1-16-8-9(7-15-16)6-14-12(17)10-4-2-3-5-11(10)13(18)19/h7-8,10-11H,2-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyCOVARFDIDWNVSA-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 19620283) is 2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is Cn1cc(CNC(=O)C2CCCCC2C(=O)O)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is COVARFDIDWNVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16-8-9(7-15-16)6-14-12(17)10-4-2-3-5-11(10)13(18)19/h7-8,10-11H,2-6H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19620283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).