3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide

C15H14Cl2N4O — CID 70998332

IUPAC3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide
SMILESNc1n[nH]c2c1C=C(C(=O)NCc1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C15H14Cl2N4O/c16-11-3-1-8(5-12(11)17)7-19-15(22)9-2-4-13-10(6-9)14(18)21-20-13/h1,3,5-6H,2,4,7H2,(H,19,22)(H3,18,20,21)
InChIKeyQYPHNSXPQNYNOD-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.94
Rot. Bonds3

About 3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide

3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide (PubChem CID 70998332) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide
PubChem CID70998332
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide
SMILESNc1n[nH]c2c1C=C(C(=O)NCc1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C15H14Cl2N4O/c16-11-3-1-8(5-12(11)17)7-19-15(22)9-2-4-13-10(6-9)14(18)21-20-13/h1,3,5-6H,2,4,7H2,(H,19,22)(H3,18,20,21)
InChIKeyQYPHNSXPQNYNOD-UHFFFAOYSA-N
XLogP2.94
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide
CID 70492189
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 141124421
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
CID 157035965
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262
3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 149128882
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 599695
2-[(3,4-dichlorophenyl)methylamino]oxyacetamide
CID 112672874

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide (CID 70998332) is 3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide is Nc1n[nH]c2c1C=C(C(=O)NCc1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of 3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide?
The InChIKey is QYPHNSXPQNYNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-11-3-1-8(5-12(11)17)7-19-15(22)9-2-4-13-10(6-9)14(18)21-20-13/h1,3,5-6H,2,4,7H2,(H,19,22)(H3,18,20,21).
What are the key properties of 3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide?
3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide has a molecular weight of 337.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 70998332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).