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

C13H20N4O3 — CID 82872608

IUPAC4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCn1ccc(CNC(=O)NC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H20N4O3/c1-17-7-6-11(16-17)8-14-13(20)15-10-4-2-9(3-5-10)12(18)19/h6-7,9-10H,2-5,8H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyJRZPNRGDSURIKI-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.86
Rot. Bonds4

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

4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 82872608) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID82872608
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCn1ccc(CNC(=O)NC2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H20N4O3/c1-17-7-6-11(16-17)8-14-13(20)15-10-4-2-9(3-5-10)12(18)19/h6-7,9-10H,2-5,8H2,1H3,(H,18,19)(H2,14,15,20)
InChIKeyJRZPNRGDSURIKI-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122007131
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 82873513
4-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122016339
3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106105963
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
4-[(2-bromothiophen-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122013522
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63309326
1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106106000
3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 81178610
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanedioic acid
CID 82874207

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 82872608) is 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is Cn1ccc(CNC(=O)NC2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JRZPNRGDSURIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-17-7-6-11(16-17)8-14-13(20)15-10-4-2-9(3-5-10)12(18)19/h6-7,9-10H,2-5,8H2,1H3,(H,18,19)(H2,14,15,20).
What are the key properties of 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82872608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).