(1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide

C23H15Cl2N3O — CID 142178941

IUPAC(1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2c1)[C@@H]1C=C1c1ccccc1
InChIInChI=1S/C23H15Cl2N3O/c24-19-8-6-14(10-20(19)25)22-18-11-15(7-9-21(18)27-28-22)26-23(29)17-12-16(17)13-4-2-1-3-5-13/h1-12,17H,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyDBDVYGQHBDBZSV-QGZVFWFLSA-N
MW420.30 g/mol
LogP6.19
Rot. Bonds4

About (1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide

(1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide (PubChem CID 142178941) has the molecular formula C23H15Cl2N3O and a molecular weight of 420.30 g/mol. Its IUPAC name is (1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide
PubChem CID142178941
Molecular FormulaC23H15Cl2N3O
Molecular Weight420.30 g/mol
Exact Mass419.06
IUPAC Name(1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2c1)[C@@H]1C=C1c1ccccc1
InChIInChI=1S/C23H15Cl2N3O/c24-19-8-6-14(10-20(19)25)22-18-11-15(7-9-21(18)27-28-22)26-23(29)17-12-16(17)13-4-2-1-3-5-13/h1-12,17H,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKeyDBDVYGQHBDBZSV-QGZVFWFLSA-N
XLogP6.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.30
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide?
The IUPAC name of (1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide (CID 142178941) is (1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide is O=C(Nc1ccc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2c1)[C@@H]1C=C1c1ccccc1.
What is the InChIKey of (1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide?
The InChIKey is DBDVYGQHBDBZSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H15Cl2N3O/c24-19-8-6-14(10-20(19)25)22-18-11-15(7-9-21(18)27-28-22)26-23(29)17-12-16(17)13-4-2-1-3-5-13/h1-12,17H,(H,26,29)(H,27,28)/t17-/m1/s1.
What are the key properties of (1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide?
(1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide has a molecular weight of 420.30 g/mol, XLogP of 6.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide is sourced from PubChem (CID 142178941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).