5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide

C14H15N5O — CID 63117028

IUPAC5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCCn1cc(NC(=O)c2c[nH]c3ccc(N)cc23)cn1
InChIInChI=1S/C14H15N5O/c1-2-19-8-10(6-17-19)18-14(20)12-7-16-13-4-3-9(15)5-11(12)13/h3-8,16H,2,15H2,1H3,(H,18,20)
InChIKeyFIGNZKRMEHGAMG-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.22
Rot. Bonds3

About 5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide

5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide (PubChem CID 63117028) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide
PubChem CID63117028
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide
SMILESCCn1cc(NC(=O)c2c[nH]c3ccc(N)cc23)cn1
InChIInChI=1S/C14H15N5O/c1-2-19-8-10(6-17-19)18-14(20)12-7-16-13-4-3-9(15)5-11(12)13/h3-8,16H,2,15H2,1H3,(H,18,20)
InChIKeyFIGNZKRMEHGAMG-UHFFFAOYSA-N
XLogP2.22
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.22
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

PF-477736
CID 135565545
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.0^{4,13]trideca-1(12),2,4,6,8(13)-pentaen-6-yl]acetamide
CID 135984730
1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide
CID 44479711
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide
CID 132169624
2-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-1-phenylethanone
CID 136188827
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958908
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide (CID 63117028) is 5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide is CCn1cc(NC(=O)c2c[nH]c3ccc(N)cc23)cn1.
What is the InChIKey of 5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide?
The InChIKey is FIGNZKRMEHGAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-19-8-10(6-17-19)18-14(20)12-7-16-13-4-3-9(15)5-11(12)13/h3-8,16H,2,15H2,1H3,(H,18,20).
What are the key properties of 5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide?
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63117028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).