2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C20H22N4O — CID 131952566

IUPAC2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cn1ncc2ccccc21)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C20H22N4O/c25-20(15-24-19-9-2-1-7-17(19)13-21-24)22-18-8-5-6-16(12-18)14-23-10-3-4-11-23/h1-2,5-9,12-13H,3-4,10-11,14-15H2,(H,22,25)
InChIKeyPXUBLJKCUXVJTK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.27
Rot. Bonds5

About 2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 131952566) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID131952566
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cn1ncc2ccccc21)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C20H22N4O/c25-20(15-24-19-9-2-1-7-17(19)13-21-24)22-18-8-5-6-16(12-18)14-23-10-3-4-11-23/h1-2,5-9,12-13H,3-4,10-11,14-15H2,(H,22,25)
InChIKeyPXUBLJKCUXVJTK-UHFFFAOYSA-N
XLogP3.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131933215
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
2-(2-methylindol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 47776662
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 38842169
2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
CID 61326883
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 131952566) is 2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is O=C(Cn1ncc2ccccc21)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is PXUBLJKCUXVJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(15-24-19-9-2-1-7-17(19)13-21-24)22-18-8-5-6-16(12-18)14-23-10-3-4-11-23/h1-2,5-9,12-13H,3-4,10-11,14-15H2,(H,22,25).
What are the key properties of 2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 131952566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).