1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C11H16N4O3 — CID 61209991

IUPAC1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cn[nH]c1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H16N4O3/c16-9(17)11(4-2-1-3-5-11)15-10(18)14-8-6-12-13-7-8/h6-7H,1-5H2,(H,12,13)(H,16,17)(H2,14,15,18)
InChIKeyOILACOGFTNRIQU-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.32
Rot. Bonds3

About 1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid

1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61209991) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID61209991
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cn[nH]c1)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H16N4O3/c16-9(17)11(4-2-1-3-5-11)15-10(18)14-8-6-12-13-7-8/h6-7H,1-5H2,(H,12,13)(H,16,17)(H2,14,15,18)
InChIKeyOILACOGFTNRIQU-UHFFFAOYSA-N
XLogP1.32
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-4-ylcarbamoyl)cycloheptane-1-carboxylic acid
CID 138033225
1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270
1-[(4-bromophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190823
1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62904289
2-(1-hydroxycyclopentyl)-N-(1H-pyrazol-4-yl)acetamide
CID 111430521
1-[(4-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61186362
1-[(4-nitrophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 22503951
1-methyl-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 130688568
2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
1-[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61205067
1-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61190474

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 61209991) is 1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(Nc1cn[nH]c1)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is OILACOGFTNRIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-9(17)11(4-2-1-3-5-11)15-10(18)14-8-6-12-13-7-8/h6-7H,1-5H2,(H,12,13)(H,16,17)(H2,14,15,18).
What are the key properties of 1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61209991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).