N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide

C13H15ClN4O — CID 67042498

IUPACN-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1n[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN4O/c14-9-3-4-10-11(7-9)16-17-13(10)15-12(19)8-18-5-1-2-6-18/h3-4,7H,1-2,5-6,8H2,(H2,15,16,17,19)
InChIKeyIMNWYKDOVVCPRI-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.25
Rot. Bonds3

About N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide

N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 67042498) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID67042498
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC NameN-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1n[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN4O/c14-9-3-4-10-11(7-9)16-17-13(10)15-12(19)8-18-5-1-2-6-18/h3-4,7H,1-2,5-6,8H2,(H2,15,16,17,19)
InChIKeyIMNWYKDOVVCPRI-UHFFFAOYSA-N
XLogP2.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide (CID 67042498) is N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1n[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is IMNWYKDOVVCPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-9-3-4-10-11(7-9)16-17-13(10)15-12(19)8-18-5-1-2-6-18/h3-4,7H,1-2,5-6,8H2,(H2,15,16,17,19).
What are the key properties of N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide?
N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 278.74 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1H-indazol-3-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 67042498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).