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

C13H20N4O3 — CID 115436760

IUPAC1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCn1ccc(NC(=O)NCC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C13H20N4O3/c1-17-8-5-10(16-17)15-12(20)14-9-13(11(18)19)6-3-2-4-7-13/h5,8H,2-4,6-7,9H2,1H3,(H,18,19)(H2,14,15,16,20)
InChIKeyKIYLQLBWLMPWAD-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.58
Rot. Bonds4

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

1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436760) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436760
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCn1ccc(NC(=O)NCC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C13H20N4O3/c1-17-8-5-10(16-17)15-12(20)14-9-13(11(18)19)6-3-2-4-7-13/h5,8H,2-4,6-7,9H2,1H3,(H,18,19)(H2,14,15,16,20)
InChIKeyKIYLQLBWLMPWAD-UHFFFAOYSA-N
XLogP1.58
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 136524276
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
CID 111926215
1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
CID 82872075
1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60617048
1-[[(4-iodophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436676
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol
CID 79778673
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
1-[(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 167910049
1-[[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544333

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid (CID 115436760) is 1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid is Cn1ccc(NC(=O)NCC2(C(=O)O)CCCCC2)n1.
What is the InChIKey of 1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is KIYLQLBWLMPWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-17-8-5-10(16-17)15-12(20)14-9-13(11(18)19)6-3-2-4-7-13/h5,8H,2-4,6-7,9H2,1H3,(H,18,19)(H2,14,15,16,20).
What are the key properties of 1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).