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

C20H16ClFN4O — CID 118425334

IUPAC5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C20H16ClFN4O/c1-12(14-10-23-26(11-14)19-5-3-2-4-16(19)22)24-20(27)18-9-13-8-15(21)6-7-17(13)25-18/h2-12,25H,1H3,(H,24,27)
InChIKeyBMNMHZVXJCQJHI-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.64
Rot. Bonds4

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

5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide (PubChem CID 118425334) has the molecular formula C20H16ClFN4O and a molecular weight of 382.83 g/mol. Its IUPAC name is 5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide
PubChem CID118425334
Molecular FormulaC20H16ClFN4O
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC Name5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C20H16ClFN4O/c1-12(14-10-23-26(11-14)19-5-3-2-4-16(19)22)24-20(27)18-9-13-8-15(21)6-7-17(13)25-18/h2-12,25H,1H3,(H,24,27)
InChIKeyBMNMHZVXJCQJHI-UHFFFAOYSA-N
XLogP4.64
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide (CID 118425334) is 5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is BMNMHZVXJCQJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O/c1-12(14-10-23-26(11-14)19-5-3-2-4-16(19)22)24-20(27)18-9-13-8-15(21)6-7-17(13)25-18/h2-12,25H,1H3,(H,24,27).
What are the key properties of 5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 382.83 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118425334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).