4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid

C11H17N3O2 — CID 135294649

IUPAC4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESCNc1cnn(C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C11H17N3O2/c1-12-9-6-13-14(7-9)10-4-2-8(3-5-10)11(15)16/h6-8,10,12H,2-5H2,1H3,(H,15,16)
InChIKeyLUWUTMPQNKWSDL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.74
Rot. Bonds3

About 4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid

4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 135294649) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid
PubChem CID135294649
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESCNc1cnn(C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C11H17N3O2/c1-12-9-6-13-14(7-9)10-4-2-8(3-5-10)11(15)16/h6-8,10,12H,2-5H2,1H3,(H,15,16)
InChIKeyLUWUTMPQNKWSDL-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid (CID 135294649) is 4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid is CNc1cnn(C2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is LUWUTMPQNKWSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-9-6-13-14(7-9)10-4-2-8(3-5-10)11(15)16/h6-8,10,12H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 135294649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).