7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide

C13H13N5O — CID 62058461

IUPAC7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc3cccc(N)c3[nH]2)n1
InChIInChI=1S/C13H13N5O/c1-18-6-5-11(17-18)16-13(19)10-7-8-3-2-4-9(14)12(8)15-10/h2-7,15H,14H2,1H3,(H,16,17,19)
InChIKeyQHFDCQUOXROUBJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.74
Rot. Bonds2

About 7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide

7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide (PubChem CID 62058461) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide
PubChem CID62058461
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide
SMILESCn1ccc(NC(=O)c2cc3cccc(N)c3[nH]2)n1
InChIInChI=1S/C13H13N5O/c1-18-6-5-11(17-18)16-13(19)10-7-8-3-2-4-9(14)12(8)15-10/h2-7,15H,14H2,1H3,(H,16,17,19)
InChIKeyQHFDCQUOXROUBJ-UHFFFAOYSA-N
XLogP1.74
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.74
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

7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 114931643
7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 63117531
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891
7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 63117500
7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
CID 66251996
7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 79041127
7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
CID 63117511
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972
7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide
CID 63117458
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
CID 63117459
7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide
CID 107594603

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide (CID 62058461) is 7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide is Cn1ccc(NC(=O)c2cc3cccc(N)c3[nH]2)n1.
What is the InChIKey of 7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide?
The InChIKey is QHFDCQUOXROUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-6-5-11(17-18)16-13(19)10-7-8-3-2-4-9(14)12(8)15-10/h2-7,15H,14H2,1H3,(H,16,17,19).
What are the key properties of 7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide?
7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 62058461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).