3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide

C20H20N4O — CID 173176023

IUPAC3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide
SMILESNC(=O)n1nc(C=Cc2ccccc2)c2ccc(N3CCCC3)cc21
InChIInChI=1S/C20H20N4O/c21-20(25)24-19-14-16(23-12-4-5-13-23)9-10-17(19)18(22-24)11-8-15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H2,21,25)
InChIKeyHISCVVXNYCYQHP-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.73
Rot. Bonds3

About 3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide

3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide (PubChem CID 173176023) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide.

Molecular Properties

Compound Name3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide
PubChem CID173176023
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide
SMILESNC(=O)n1nc(C=Cc2ccccc2)c2ccc(N3CCCC3)cc21
InChIInChI=1S/C20H20N4O/c21-20(25)24-19-14-16(23-12-4-5-13-23)9-10-17(19)18(22-24)11-8-15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H2,21,25)
InChIKeyHISCVVXNYCYQHP-UHFFFAOYSA-N
XLogP3.73
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone
CID 91505232
carbamic acid;1-phenylpiperidine
CID 161473217
(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
CID 18363088
6-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole-1-carboxamide
CID 162424199
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
4,6-bis[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]pyrimidine
CID 71457448
tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate
CID 142496039
cyclopropylbenzene;4-[(3-pyrrolidin-1-ylphenyl)methylidene]piperidine-1-carboxamide
CID 166076220
5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid
CID 139449286
butanamide;1-phenylpiperidine
CID 174698826
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295151
N-methyl-N-phenyl-8-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156537421

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide?
The IUPAC name of 3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide (CID 173176023) is 3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide.
What is the SMILES notation for 3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide?
The canonical SMILES for 3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide is NC(=O)n1nc(C=Cc2ccccc2)c2ccc(N3CCCC3)cc21.
What is the InChIKey of 3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide?
The InChIKey is HISCVVXNYCYQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-20(25)24-19-14-16(23-12-4-5-13-23)9-10-17(19)18(22-24)11-8-15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H2,21,25).
What are the key properties of 3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide?
3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide is sourced from PubChem (CID 173176023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).