5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide

C12H13N3O — CID 78859111

IUPAC5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
SMILESC=CCNC(=O)c1n[nH]c2ccc(C)cc12
InChIInChI=1S/C12H13N3O/c1-3-6-13-12(16)11-9-7-8(2)4-5-10(9)14-15-11/h3-5,7H,1,6H2,2H3,(H,13,16)(H,14,15)
InChIKeyHMKAXSICTMHRKZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.79
Rot. Bonds3

About 5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide

5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide (PubChem CID 78859111) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
PubChem CID78859111
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
SMILESC=CCNC(=O)c1n[nH]c2ccc(C)cc12
InChIInChI=1S/C12H13N3O/c1-3-6-13-12(16)11-9-7-8(2)4-5-10(9)14-15-11/h3-5,7H,1,6H2,2H3,(H,13,16)(H,14,15)
InChIKeyHMKAXSICTMHRKZ-UHFFFAOYSA-N
XLogP1.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859037
N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78869375
5-methyl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 78859110
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598
5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide
CID 78858986
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indazole-3-carboxamide
CID 78865849
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide
CID 56722867
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide (CID 78859111) is 5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide is C=CCNC(=O)c1n[nH]c2ccc(C)cc12.
What is the InChIKey of 5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide?
The InChIKey is HMKAXSICTMHRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-6-13-12(16)11-9-7-8(2)4-5-10(9)14-15-11/h3-5,7H,1,6H2,2H3,(H,13,16)(H,14,15).
What are the key properties of 5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide?
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78859111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).