5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride

C15H10Cl2N4O — CID 163253537

IUPAC5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride
SMILESCn1cc(-c2nc(-c3ccc(Cl)cc3)cnc2C(=O)Cl)cn1
InChIInChI=1S/C15H10Cl2N4O/c1-21-8-10(6-19-21)13-14(15(17)22)18-7-12(20-13)9-2-4-11(16)5-3-9/h2-8H,1H3
InChIKeyMUUXWIBBOCMQQY-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.58
Rot. Bonds3

About 5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride

5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride (PubChem CID 163253537) has the molecular formula C15H10Cl2N4O and a molecular weight of 333.18 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride
PubChem CID163253537
Molecular FormulaC15H10Cl2N4O
Molecular Weight333.18 g/mol
Exact Mass332.02
IUPAC Name5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride
SMILESCn1cc(-c2nc(-c3ccc(Cl)cc3)cnc2C(=O)Cl)cn1
InChIInChI=1S/C15H10Cl2N4O/c1-21-8-10(6-19-21)13-14(15(17)22)18-7-12(20-13)9-2-4-11(16)5-3-9/h2-8H,1H3
InChIKeyMUUXWIBBOCMQQY-UHFFFAOYSA-N
XLogP3.58
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[6-(4-chlorophenyl)-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 175222744
6-(4-chlorophenyl)-3-[(1S,3R)-3-hydroxycyclopentyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one
CID 156891926
6-(4-chlorophenyl)-3-(3-hydroxyphenyl)-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-one
CID 156891920
(2S)-2-[[6-(4-chlorophenyl)-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]amino]propan-1-ol
CID 163253503
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4-carboxamide
CID 165389665
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylpyrazole-4-carboxylate
CID 40767451
6-(4-chlorophenyl)-2-[(2S)-1-methoxypropan-2-yl]oxy-8-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 164524962
methyl 3-amino-6-chloro-5-(1-methylpyrazol-4-yl)pyrazine-2-carboxylate
CID 155209346
4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715271
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-(2-methylphenyl)pyridazin-3-one;2,2,2-trifluoroacetic acid
CID 137488723
(4-chlorophenyl)methyl 1-methylpyrazole-4-carboxylate
CID 55425804
6-chloro-2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 115403826

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride?
The IUPAC name of 5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride (CID 163253537) is 5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride?
The canonical SMILES for 5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride is Cn1cc(-c2nc(-c3ccc(Cl)cc3)cnc2C(=O)Cl)cn1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride?
The InChIKey is MUUXWIBBOCMQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O/c1-21-8-10(6-19-21)13-14(15(17)22)18-7-12(20-13)9-2-4-11(16)5-3-9/h2-8H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride?
5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride has a molecular weight of 333.18 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)pyrazine-2-carbonyl chloride is sourced from PubChem (CID 163253537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).