N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide

C15H15Cl2N3O2 — CID 119035230

IUPACN-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2c3cc(Cl)cc(Cl)c3CC2O)n[nH]1
InChIInChI=1S/C15H15Cl2N3O2/c1-7-3-12(19-18-7)15(22)20(2)14-10-4-8(16)5-11(17)9(10)6-13(14)21/h3-5,13-14,21H,6H2,1-2H3,(H,18,19)
InChIKeyQQPGPDBGMBKZNI-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.76
Rot. Bonds2

About N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide

N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 119035230) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID119035230
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC NameN-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2c3cc(Cl)cc(Cl)c3CC2O)n[nH]1
InChIInChI=1S/C15H15Cl2N3O2/c1-7-3-12(19-18-7)15(22)20(2)14-10-4-8(16)5-11(17)9(10)6-13(14)21/h3-5,13-14,21H,6H2,1-2H3,(H,18,19)
InChIKeyQQPGPDBGMBKZNI-UHFFFAOYSA-N
XLogP2.76
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 119035230) is N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C2c3cc(Cl)cc(Cl)c3CC2O)n[nH]1.
What is the InChIKey of N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is QQPGPDBGMBKZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-7-3-12(19-18-7)15(22)20(2)14-10-4-8(16)5-11(17)9(10)6-13(14)21/h3-5,13-14,21H,6H2,1-2H3,(H,18,19).
What are the key properties of N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119035230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).