2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid

C10H10ClN5O2 — CID 23545995

IUPAC2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nccc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C10H10ClN5O2/c1-15(6-9(17)18)10-12-3-2-8(14-10)16-5-7(11)4-13-16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyHPTCBAHRTLSHEC-UHFFFAOYSA-N
MW267.68 g/mol
LogP0.84
Rot. Bonds4

About 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid

2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid (PubChem CID 23545995) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid
PubChem CID23545995
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nccc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C10H10ClN5O2/c1-15(6-9(17)18)10-12-3-2-8(14-10)16-5-7(11)4-13-16/h2-5H,6H2,1H3,(H,17,18)
InChIKeyHPTCBAHRTLSHEC-UHFFFAOYSA-N
XLogP0.84
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid (CID 23545995) is 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid is CN(CC(=O)O)c1nccc(-n2cc(Cl)cn2)n1.
What is the InChIKey of 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid?
The InChIKey is HPTCBAHRTLSHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-15(6-9(17)18)10-12-3-2-8(14-10)16-5-7(11)4-13-16/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid?
2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid has a molecular weight of 267.68 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloropyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetic acid is sourced from PubChem (CID 23545995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).