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

C11H17N3O2 — CID 84735443

IUPAC4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESNCc1cnn(C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C11H17N3O2/c12-5-8-6-13-14(7-8)10-3-1-9(2-4-10)11(15)16/h6-7,9-10H,1-5,12H2,(H,15,16)
InChIKeyZEFFFQDUKRCEAG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.16
Rot. Bonds3

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

4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 84735443) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
PubChem CID84735443
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESNCc1cnn(C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C11H17N3O2/c12-5-8-6-13-14(7-8)10-3-1-9(2-4-10)11(15)16/h6-7,9-10H,1-5,12H2,(H,15,16)
InChIKeyZEFFFQDUKRCEAG-UHFFFAOYSA-N
XLogP1.16
TPSA81.14 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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid (CID 84735443) is 4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid is NCc1cnn(C2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is ZEFFFQDUKRCEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-5-8-6-13-14(7-8)10-3-1-9(2-4-10)11(15)16/h6-7,9-10H,1-5,12H2,(H,15,16).
What are the key properties of 4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 84735443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).