2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid

C11H18ClN3O2 — CID 43631474

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1c(C)nn(C)c1Cl)C(=O)O
InChIInChI=1S/C11H18ClN3O2/c1-4-5-9(11(16)17)13-6-8-7(2)14-15(3)10(8)12/h9,13H,4-6H2,1-3H3,(H,16,17)
InChIKeyVWQHHHFKUUOBOE-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.72
Rot. Bonds6

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid (PubChem CID 43631474) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
PubChem CID43631474
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1c(C)nn(C)c1Cl)C(=O)O
InChIInChI=1S/C11H18ClN3O2/c1-4-5-9(11(16)17)13-6-8-7(2)14-15(3)10(8)12/h9,13H,4-6H2,1-3H3,(H,16,17)
InChIKeyVWQHHHFKUUOBOE-UHFFFAOYSA-N
XLogP1.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylheptanoic acid
CID 65289338
(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]nonanoic acid
CID 162690079
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]pentanoic acid
CID 43631836
2-[(2,3,4,5,6-pentafluorophenyl)methylamino]pentanoic acid
CID 43631833
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62109634
tert-butyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 75447083
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
CID 115907864
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)heptan-2-one
CID 116607855
1-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpentan-3-amine
CID 106354133
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 115590392
2-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanoic acid
CID 65055851
2-[(4-chlorophenyl)methylamino]pentanoic acid
CID 43631664

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid (CID 43631474) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid is CCCC(NCc1c(C)nn(C)c1Cl)C(=O)O.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid?
The InChIKey is VWQHHHFKUUOBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-4-5-9(11(16)17)13-6-8-7(2)14-15(3)10(8)12/h9,13H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid has a molecular weight of 259.74 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43631474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).