2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine

C19H15ClFN5 — CID 136502829

IUPAC2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine
SMILESCCn1nc(-c2cnccn2)cc1-c1ccc(-c2c(F)cccc2Cl)[nH]1
InChIInChI=1S/C19H15ClFN5/c1-2-26-18(10-16(25-26)17-11-22-8-9-23-17)14-6-7-15(24-14)19-12(20)4-3-5-13(19)21/h3-11,24H,2H2,1H3
InChIKeyAEMVKGWDYYUGRO-UHFFFAOYSA-N
MW367.82 g/mol
LogP4.81
Rot. Bonds4

About 2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine

2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine (PubChem CID 136502829) has the molecular formula C19H15ClFN5 and a molecular weight of 367.82 g/mol. Its IUPAC name is 2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine
PubChem CID136502829
Molecular FormulaC19H15ClFN5
Molecular Weight367.82 g/mol
Exact Mass367.10
IUPAC Name2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine
SMILESCCn1nc(-c2cnccn2)cc1-c1ccc(-c2c(F)cccc2Cl)[nH]1
InChIInChI=1S/C19H15ClFN5/c1-2-26-18(10-16(25-26)17-11-22-8-9-23-17)14-6-7-15(24-14)19-12(20)4-3-5-13(19)21/h3-11,24H,2H2,1H3
InChIKeyAEMVKGWDYYUGRO-UHFFFAOYSA-N
XLogP4.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
2-[4-chlorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9945516
4-[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 51588297
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670128
N-(2-(5-chloro-2-fluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
US20240018122, Example 181
CID 170666416
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine
CID 16188430
4-(4-(4-(1H-pyrrol-3-yl)phenyl)-1-methyl-1H-pyrazol-3-yl)pyridine
CID 54586537
2-chloro-4-[1-[(2S)-2-(pyridin-3-ylamino)propyl]pyrazol-3-yl]benzonitrile
CID 155561148
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54671255
6-(5-Chloro-1-methylpyrazol-4-yl)-1-(2-fluorophenyl)pyrazolo[4,3-c]pyridine
CID 89914334
US10377753, Example 240
CID 124176088

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine?
The IUPAC name of 2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine (CID 136502829) is 2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine is CCn1nc(-c2cnccn2)cc1-c1ccc(-c2c(F)cccc2Cl)[nH]1.
What is the InChIKey of 2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine?
The InChIKey is AEMVKGWDYYUGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5/c1-2-26-18(10-16(25-26)17-11-22-8-9-23-17)14-6-7-15(24-14)19-12(20)4-3-5-13(19)21/h3-11,24H,2H2,1H3.
What are the key properties of 2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine?
2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine has a molecular weight of 367.82 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(2-chloro-6-fluorophenyl)-1H-pyrrol-2-yl]-1-ethylpyrazol-3-yl]pyrazine is sourced from PubChem (CID 136502829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).