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

C13H20N4O3 — CID 61204334

IUPAC4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)Nc2ccn(C)n2)(C(=O)O)CC1
InChIInChI=1S/C13H20N4O3/c1-9-3-6-13(7-4-9,11(18)19)15-12(20)14-10-5-8-17(2)16-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,18,19)(H2,14,15,16,20)
InChIKeyYVSOPSQHFUQHKN-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.58
Rot. Bonds3

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

4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 61204334) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID61204334
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)Nc2ccn(C)n2)(C(=O)O)CC1
InChIInChI=1S/C13H20N4O3/c1-9-3-6-13(7-4-9,11(18)19)15-12(20)14-10-5-8-17(2)16-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,18,19)(H2,14,15,16,20)
InChIKeyYVSOPSQHFUQHKN-UHFFFAOYSA-N
XLogP1.58
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 61204334) is 4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)Nc2ccn(C)n2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is YVSOPSQHFUQHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-3-6-13(7-4-9,11(18)19)15-12(20)14-10-5-8-17(2)16-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,18,19)(H2,14,15,16,20).
What are the key properties of 4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61204334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).