6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide

C15H17N5O — CID 62902983

IUPAC6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2c[nH]c3cc(N)ccc23)cn1
InChIInChI=1S/C15H17N5O/c1-9(2)20-8-11(6-18-20)19-15(21)13-7-17-14-5-10(16)3-4-12(13)14/h3-9,17H,16H2,1-2H3,(H,19,21)
InChIKeyJEALTILARLKQHQ-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.78
Rot. Bonds3

About 6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide

6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide (PubChem CID 62902983) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide
PubChem CID62902983
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCC(C)n1cc(NC(=O)c2c[nH]c3cc(N)ccc23)cn1
InChIInChI=1S/C15H17N5O/c1-9(2)20-8-11(6-18-20)19-15(21)13-7-17-14-5-10(16)3-4-12(13)14/h3-9,17H,16H2,1-2H3,(H,19,21)
InChIKeyJEALTILARLKQHQ-UHFFFAOYSA-N
XLogP2.78
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 62902803
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 63117028
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
6-amino-N-(4-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 61092128
5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 102705527
6-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide
CID 61092255
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 106208056
6-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 62904281
6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide
CID 63562915
6-amino-N-(6-methyl-2-pyridinyl)-1H-indole-3-carboxamide
CID 61095295
6-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-3-carboxamide
CID 79735745
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide (CID 62902983) is 6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide is CC(C)n1cc(NC(=O)c2c[nH]c3cc(N)ccc23)cn1.
What is the InChIKey of 6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide?
The InChIKey is JEALTILARLKQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9(2)20-8-11(6-18-20)19-15(21)13-7-17-14-5-10(16)3-4-12(13)14/h3-9,17H,16H2,1-2H3,(H,19,21).
What are the key properties of 6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide?
6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide has a molecular weight of 283.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-propan-2-ylpyrazol-4-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 62902983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).