3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide

C16H16N4O — CID 70796334

IUPAC3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3[nH]nc(N)c3c2)c1
InChIInChI=1S/C16H16N4O/c1-10-3-2-4-11(7-10)9-18-16(21)12-5-6-14-13(8-12)15(17)20-19-14/h2-8H,9H2,1H3,(H,18,21)(H3,17,19,20)
InChIKeyBVPBJOXRUXTPML-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.38
Rot. Bonds3

About 3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide

3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide (PubChem CID 70796334) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
PubChem CID70796334
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3[nH]nc(N)c3c2)c1
InChIInChI=1S/C16H16N4O/c1-10-3-2-4-11(7-10)9-18-16(21)12-5-6-14-13(8-12)15(17)20-19-14/h2-8H,9H2,1H3,(H,18,21)(H3,17,19,20)
InChIKeyBVPBJOXRUXTPML-UHFFFAOYSA-N
XLogP2.38
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-amino-4-pyridinyl)methyl]-1H-indazole-5-carboxamide
CID 58985371
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 54944517
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide (CID 70796334) is 3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide is Cc1cccc(CNC(=O)c2ccc3[nH]nc(N)c3c2)c1.
What is the InChIKey of 3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is BVPBJOXRUXTPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-3-2-4-11(7-10)9-18-16(21)12-5-6-14-13(8-12)15(17)20-19-14/h2-8H,9H2,1H3,(H,18,21)(H3,17,19,20).
What are the key properties of 3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide?
3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.38, 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-methylphenyl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 70796334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).