6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide

C14H15N5O — CID 106208056

IUPAC6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2cc(N)ccc12)c1cn[nH]c1
InChIInChI=1S/C14H15N5O/c1-8(9-5-17-18-6-9)19-14(20)12-7-16-13-4-10(15)2-3-11(12)13/h2-8,16H,15H2,1H3,(H,17,18)(H,19,20)
InChIKeyPVXZXCXXOZDZDN-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.96
Rot. Bonds3

About 6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide

6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide (PubChem CID 106208056) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
PubChem CID106208056
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2cc(N)ccc12)c1cn[nH]c1
InChIInChI=1S/C14H15N5O/c1-8(9-5-17-18-6-9)19-14(20)12-7-16-13-4-10(15)2-3-11(12)13/h2-8,16H,15H2,1H3,(H,17,18)(H,19,20)
InChIKeyPVXZXCXXOZDZDN-UHFFFAOYSA-N
XLogP1.96
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 106387438
N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
CID 116650078
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide
CID 106281055
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208086
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide (CID 106208056) is 6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide is CC(NC(=O)c1c[nH]c2cc(N)ccc12)c1cn[nH]c1.
What is the InChIKey of 6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide?
The InChIKey is PVXZXCXXOZDZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(9-5-17-18-6-9)19-14(20)12-7-16-13-4-10(15)2-3-11(12)13/h2-8,16H,15H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide?
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 106208056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).