methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate

C10H9ClN4O2 — CID 66587433

IUPACmethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(N)nn1-c1ncccc1Cl
InChIInChI=1S/C10H9ClN4O2/c1-17-10(16)7-5-8(12)14-15(7)9-6(11)3-2-4-13-9/h2-5H,1H3,(H2,12,14)
InChIKeyZYCQRDXZNUFCEP-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.29
Rot. Bonds2

About methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate

methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate (PubChem CID 66587433) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
PubChem CID66587433
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Namemethyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(N)nn1-c1ncccc1Cl
InChIInChI=1S/C10H9ClN4O2/c1-17-10(16)7-5-8(12)14-15(7)9-6(11)3-2-4-13-9/h2-5H,1H3,(H2,12,14)
InChIKeyZYCQRDXZNUFCEP-UHFFFAOYSA-N
XLogP1.29
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate 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 methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
The IUPAC name of methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate (CID 66587433) is methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate is COC(=O)c1cc(N)nn1-c1ncccc1Cl.
What is the InChIKey of methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
The InChIKey is ZYCQRDXZNUFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-17-10(16)7-5-8(12)14-15(7)9-6(11)3-2-4-13-9/h2-5H,1H3,(H2,12,14).
What are the key properties of methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate has a molecular weight of 252.66 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate is sourced from PubChem (CID 66587433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).