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

C14H22N4O3 — CID 63303718

IUPAC4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NCc2ccnn2C)(C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-10-3-6-14(7-4-10,12(19)20)17-13(21)15-9-11-5-8-16-18(11)2/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,19,20)(H2,15,17,21)
InChIKeyCBMIEZCAQFVQOR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.25
Rot. Bonds4

About 4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63303718) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID63303718
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NCc2ccnn2C)(C(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-10-3-6-14(7-4-10,12(19)20)17-13(21)15-9-11-5-8-16-18(11)2/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,19,20)(H2,15,17,21)
InChIKeyCBMIEZCAQFVQOR-UHFFFAOYSA-N
XLogP1.25
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 63303718) is 4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)NCc2ccnn2C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CBMIEZCAQFVQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-3-6-14(7-4-10,12(19)20)17-13(21)15-9-11-5-8-16-18(11)2/h5,8,10H,3-4,6-7,9H2,1-2H3,(H,19,20)(H2,15,17,21).
What are the key properties of 4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63303718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).