[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone

C18H16ClN3O — CID 134141248

IUPAC[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c19-15-6-3-12(4-7-15)17-2-1-9-22(17)18(23)13-5-8-16-14(10-13)11-20-21-16/h3-8,10-11,17H,1-2,9H2,(H,20,21)/t17-/m0/s1
InChIKeyHUMGDIWWCDUKKQ-KRWDZBQOSA-N
MW325.80 g/mol
LogP4.19
Rot. Bonds2

About [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone

[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone (PubChem CID 134141248) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone
PubChem CID134141248
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c19-15-6-3-12(4-7-15)17-2-1-9-22(17)18(23)13-5-8-16-14(10-13)11-20-21-16/h3-8,10-11,17H,1-2,9H2,(H,20,21)/t17-/m0/s1
InChIKeyHUMGDIWWCDUKKQ-KRWDZBQOSA-N
XLogP4.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone (CID 134141248) is [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone is O=C(c1ccc2[nH]ncc2c1)N1CCC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone?
The InChIKey is HUMGDIWWCDUKKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-6-3-12(4-7-15)17-2-1-9-22(17)18(23)13-5-8-16-14(10-13)11-20-21-16/h3-8,10-11,17H,1-2,9H2,(H,20,21)/t17-/m0/s1.
What are the key properties of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone?
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone has a molecular weight of 325.80 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-5-yl)methanone is sourced from PubChem (CID 134141248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).