5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide

C20H17ClN4O — CID 55556558

IUPAC5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H17ClN4O/c21-16-6-7-18-15(10-16)11-19(24-18)20(26)22-9-8-14-12-23-25(13-14)17-4-2-1-3-5-17/h1-7,10-13,24H,8-9H2,(H,22,26)
InChIKeyIAJHSUGZVMJERI-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.98
Rot. Bonds5

About 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 55556558) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID55556558
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H17ClN4O/c21-16-6-7-18-15(10-16)11-19(24-18)20(26)22-9-8-14-12-23-25(13-14)17-4-2-1-3-5-17/h1-7,10-13,24H,8-9H2,(H,22,26)
InChIKeyIAJHSUGZVMJERI-UHFFFAOYSA-N
XLogP3.98
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131935956
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 55504998
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
3-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 131904380
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
2-chloro-4-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16613767
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880476
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111358391
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 134000627

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide (CID 55556558) is 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide is O=C(NCCc1cnn(-c2ccccc2)c1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is IAJHSUGZVMJERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-16-6-7-18-15(10-16)11-19(24-18)20(26)22-9-8-14-12-23-25(13-14)17-4-2-1-3-5-17/h1-7,10-13,24H,8-9H2,(H,22,26).
What are the key properties of 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 364.84 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55556558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).