2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid

C12H19N3O2 — CID 84736666

IUPAC2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid
SMILESNCC1CCCCC1n1nccc1CC(=O)O
InChIInChI=1S/C12H19N3O2/c13-8-9-3-1-2-4-11(9)15-10(5-6-14-15)7-12(16)17/h5-6,9,11H,1-4,7-8,13H2,(H,16,17)
InChIKeyDLHBFBLXEWKPEK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.20
Rot. Bonds4

About 2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid

2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid (PubChem CID 84736666) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid
PubChem CID84736666
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid
SMILESNCC1CCCCC1n1nccc1CC(=O)O
InChIInChI=1S/C12H19N3O2/c13-8-9-3-1-2-4-11(9)15-10(5-6-14-15)7-12(16)17/h5-6,9,11H,1-4,7-8,13H2,(H,16,17)
InChIKeyDLHBFBLXEWKPEK-UHFFFAOYSA-N
XLogP1.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,2-difluorocyclohexyl)pyrazol-3-yl]acetic acid
CID 84737255
2-[2-(thian-4-yl)pyrazol-3-yl]acetic acid
CID 84735820
(2-indazol-1-ylcycloheptyl)methanamine
CID 62140360
3-[2-(aminomethyl)cyclohexyl]-1,2,3-benzotriazin-4-one
CID 43589270
[2-(3,5-dimethylpyrazol-1-yl)cyclopentyl]methanamine
CID 43293800
1-[2-(aminomethyl)cyclopentyl]cinnolin-4-one
CID 43646468
1-[2-(aminomethyl)cyclohexyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 116584681
1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone
CID 116584689
4-[5-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 84733271
2-(5-aminopyrazol-1-yl)cyclohexan-1-ol
CID 62712857
[2-(2-phenylimidazol-1-yl)cycloheptyl]methanamine
CID 61070468
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid (CID 84736666) is 2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid is NCC1CCCCC1n1nccc1CC(=O)O.
What is the InChIKey of 2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid?
The InChIKey is DLHBFBLXEWKPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-8-9-3-1-2-4-11(9)15-10(5-6-14-15)7-12(16)17/h5-6,9,11H,1-4,7-8,13H2,(H,16,17).
What are the key properties of 2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid?
2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)cyclohexyl]pyrazol-3-yl]acetic acid is sourced from PubChem (CID 84736666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).