N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide

C31H27ClN6O2 — CID 69079053

IUPACN-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1.O=C(NCc1ccccc1Cl)c1n[nH]c2ccccc12
InChIInChI=1S/C16H15N3O.C15H12ClN3O/c1-11-6-8-12(9-7-11)10-17-16(20)15-13-4-2-3-5-14(13)18-19-15;16-12-7-3-1-5-10(12)9-17-15(20)14-11-6-2-4-8-13(11)18-19-14/h2-9H,10H2,1H3,(H,17,20)(H,18,19);1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyACQUPZGSMTUMQT-UHFFFAOYSA-N
MW551.05 g/mol
LogP5.95
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide

N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide (PubChem CID 69079053) has the molecular formula C31H27ClN6O2 and a molecular weight of 551.05 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
PubChem CID69079053
Molecular FormulaC31H27ClN6O2
Molecular Weight551.05 g/mol
Exact Mass550.19
IUPAC NameN-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1.O=C(NCc1ccccc1Cl)c1n[nH]c2ccccc12
InChIInChI=1S/C16H15N3O.C15H12ClN3O/c1-11-6-8-12(9-7-11)10-17-16(20)15-13-4-2-3-5-14(13)18-19-15;16-12-7-3-1-5-10(12)9-17-15(20)14-11-6-2-4-8-13(11)18-19-14/h2-9H,10H2,1H3,(H,17,20)(H,18,19);1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyACQUPZGSMTUMQT-UHFFFAOYSA-N
XLogP5.95
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.05
LogP ≤ 55.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 42885407
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 37017710
N-[(2-chlorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 7537965
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 115991487
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide (CID 69079053) is N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide is Cc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1.O=C(NCc1ccccc1Cl)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is ACQUPZGSMTUMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.C15H12ClN3O/c1-11-6-8-12(9-7-11)10-17-16(20)15-13-4-2-3-5-14(13)18-19-15;16-12-7-3-1-5-10(12)9-17-15(20)14-11-6-2-4-8-13(11)18-19-14/h2-9H,10H2,1H3,(H,17,20)(H,18,19);1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 551.05 g/mol, XLogP of 5.95, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 69079053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).