6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide

C12H16N4O — CID 76846414

IUPAC6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide
SMILESCc1cc2cn[nH]c2c(C(=O)NC(C)C)c1N
InChIInChI=1S/C12H16N4O/c1-6(2)15-12(17)9-10(13)7(3)4-8-5-14-16-11(8)9/h4-6H,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyZPWJRUGKTMTLRV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.59
Rot. Bonds2

About 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide

6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide (PubChem CID 76846414) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide
PubChem CID76846414
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide
SMILESCc1cc2cn[nH]c2c(C(=O)NC(C)C)c1N
InChIInChI=1S/C12H16N4O/c1-6(2)15-12(17)9-10(13)7(3)4-8-5-14-16-11(8)9/h4-6H,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyZPWJRUGKTMTLRV-UHFFFAOYSA-N
XLogP1.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
CID 10469531
n-Phenyl-1h-indazole-5-carboxamide
CID 22933429
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
2-{4-[(Ethylamino)methyl]phenyl}-2H-indazole-7-carboxamide
CID 44549776
2-(4-((isopropylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 44549779
2-(4-(1-(methylamino)ethyl)phenyl)-2H-indazole-7-carboxamide
CID 44549780
5-N-cyclopropyl-1-(1H-indazol-7-ylmethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648586
(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide
CID 130453312
1,2-Dihydro-5H-pyrazolo[4,3-g]quinazolin-5-one
CID 135471989
N-(1H-indazol-5-ylmethyl)acetamide
CID 139515589
tert-butyl 3-methyl-7-(7-methyl-1H-indazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 122194528
N-methyl-3-(2-methylpropyl)-2H-indazole-5-carboxamide
CID 127030505

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide?
The IUPAC name of 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide (CID 76846414) is 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide.
What is the SMILES notation for 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide?
The canonical SMILES for 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide is Cc1cc2cn[nH]c2c(C(=O)NC(C)C)c1N.
What is the InChIKey of 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide?
The InChIKey is ZPWJRUGKTMTLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-6(2)15-12(17)9-10(13)7(3)4-8-5-14-16-11(8)9/h4-6H,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide?
6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide is sourced from PubChem (CID 76846414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).