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

C18H28N4O3 — CID 122089594

IUPAC4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cn(C2CCCCC2)nc1NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H28N4O3/c1-12-11-22(15-5-3-2-4-6-15)21-16(12)20-18(25)19-14-9-7-13(8-10-14)17(23)24/h11,13-15H,2-10H2,1H3,(H,23,24)(H2,19,20,21,25)
InChIKeyUKWBRCAFLVCGLL-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.46
Rot. Bonds4

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

4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122089594) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122089594
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cn(C2CCCCC2)nc1NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H28N4O3/c1-12-11-22(15-5-3-2-4-6-15)21-16(12)20-18(25)19-14-9-7-13(8-10-14)17(23)24/h11,13-15H,2-10H2,1H3,(H,23,24)(H2,19,20,21,25)
InChIKeyUKWBRCAFLVCGLL-UHFFFAOYSA-N
XLogP3.46
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122089594) is 4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1cn(C2CCCCC2)nc1NC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is UKWBRCAFLVCGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12-11-22(15-5-3-2-4-6-15)21-16(12)20-18(25)19-14-9-7-13(8-10-14)17(23)24/h11,13-15H,2-10H2,1H3,(H,23,24)(H2,19,20,21,25).
What are the key properties of 4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 348.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclohexyl-4-methylpyrazol-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122089594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).